Exact Mass: 234.144

CONFIDENCE standard compound; EAWAG_UCHEM_ID 2949 CONFIDENCE standard compound; INTERNAL_ID 2544 CONFIDENCE standard compound; INTERNAL_ID 4047 CONFIDENCE standard compound; INTERNAL_ID 8427

4-Coumaroylputrescine

(2Z)-N-(4-Aminobutyl)-3-(4-hydroxyphenyl)prop-2-enimidate

Alkaloid from Pennisetum americanum (pearl millet), Zea mays (sweet corn), Persea gratissima (avocado) and Lycopersicon esculentum (tomato). 4-Coumaroylputrescine is found in many foods, some of which are garden tomato, cereals and cereal products, fruits, and fats and oils. 4-Coumaroylputrescine is found in cereals and cereal products. 4-Coumaroylputrescine is an alkaloid from Pennisetum americanum (pearl millet), Zea mays (sweet corn), Persea gratissima (avocado) and Lycopersicon esculentum (tomato).

Benzoylagmatine

reten

1-methyl-7-(propan-2-yl)phenanthrene

Visoltricin

Methyl 3-[1-methyl-4-(3-methylbut-2-en-1-yl)-1H-imidazol-5-yl]prop-2-enoic acid

erectathiol|[(6R,9S)-6-isopropyl-9-methyl-6,7,8,9-tetrahydronaphthalen-3-yl]methanethiol

C15H22S (234.1442)

RETENE

1,4,5,8-tetramethylanthracene

C1=C(C)C(C)=CC2=CC3=CC(C)=CC(C)=C3C=C21

2,3-O-Butylidene-1-Deoxygalactitol,,

SCHEMBL8581082

Anthracene, 1,3,5,7-tetramethyl-

4,6-O-Butylidene-1-Deoxygalactitol,,

NCI60_012749

3-ethoxy-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one|N-Hydroxyethyl-cytisin

Xylarioic acid B

1-(1,5-dimethoxy-1h-indol-3-yl)-n,n-dimethylmethanamine

Cinnamoylcholine

[C14H20NO2]+ (234.1494)

IPB_RECORD: 233; CONFIDENCE confident structure

12-(3-Hydroxyethyl)-cytisine

relative retention time with respect to 9-anthracene Carboxylic Acid is 0.054 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052

Coumaroyl putrescin

Annotation level-3

N-(2-Hydroxyethyl)cytisin

12-(3-Hydroxyethyl)-cytisine

Origin: Plant; Formula(Parent): C13H18N2O2; Bottle Name:12-(3-hydroxyethyl)cytisine; PRIME Parent Name:12-(3-hydroxyethyl)cytisine; PRIME in-house No.:V0330; SubCategory_DNP: Alkaloids derived from lysine, More complex lysine-derived alkaloids, Cytisine alkaloids

2H-Indol-2-one, 1,3-dihydro-7-hydroxy-4-[2-(propylamino)ethyl]-

12-chloro-dodecanoic acid

C12H23ClO2 (234.1386)

3,4-DIHYDRO-3-[(4-MORPHOLINYL)METHYL]-2H-1,4-BENZOXAZINE

1,2,6,9-Tetramethylphenanthrene

TERT-BUTYL 4-AMINOINDOLINE-1-CARBOXYLATE

TERT-BUTYL 7-AMINOINDOLINE-1-CARBOXYLATE

3-Amino-1-benzyl-3-piperidinecarboxylic acid

Methyl 4-piperazin-1-ylmethylbenzoate

1-Cbz-3-Amino-piperidine

4-Cbz-aminopiperidine

Benzyl 4-piperidinylcarbamate

Benzyl 4-amino-1-piperidinecarboxylate

3-AMINOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID BENZYL ESTER

[(2R)-4,4-diethoxy-2-(hydroxymethyl)butyl] acetate

Bisphenol A-d6

C15H10D6O2 (234.1527)

2-(4-AMINO-1-PHENYLPIPERIDIN-4-YL)ACETIC ACID

1,1-(1,2-Ethynediyl)bis(4-ethylbenzene)

3-(3-ethylpiperazin-1-yl)benzoic acid

methyl 3-(2-methylpiperazin-1-yl)benzoate

methyl 2-(2-methylpiperazin-1-yl)benzoate

methyl 4-(3-methylpiperazin-1-yl)benzoate

2-(4-phenylpiperazin-1-yl)propanoic acid

4-Amino-1-benzyl-4-piperidinecarboxylic acid

1,2,3,4-tetramethylanthracene

5-AMINO-2-(4-METHYL-PIPERIDIN-1-YL)-BENZOIC ACID

Tert-butyl indolin-4-ylcarbamate

Tert-butyl indolin-5-yl-carbamate

Tert-butyl indolin-7-yl-carbamate

(R)-BENZYL 3-(METHYLAMINO)PYRROLIDINE-1-CARBOXYLATE

[2-(cyclohexyloxymethyl)phenyl]boronic acid

1-T-BUTYL-4-ISOPROPYL-5-TRIFLUOROMETHYLIMIDAZOLE

C11H17F3N2 (234.1344)

Ethyl 4-(1-piperazinyl)benzoate

3-AMINO-3-[4-(PYRROLIDIN-1-YL)-PHENYL]-PROPIONIC ACID

4-[(4-Methyl-1-piperazinyl)methyl]benzoic acid

Ethyl 1-(pyridin-4-yl)piperidine-4-carboxylate

N-(cyclopropylmethyl)-4-nitro-N-propylaniline

3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

1,1-(1,2-Ethanediyl)bis(4-vinylbenzene)

[18]Annulene

Cyclooctadecane-1,3,5,7,9,11,13,15,17-nonene

(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol

3-[(3,4-DIMETHOXYPHENETHYL)AMINO]PROPANENITRILE

methyl 3-amino-4-piperidin-1-ylbenzoate

1-hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile

3-Methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

6-amino-1-heptyl-2-oxo-pyrimidine-5-carbonitrile

(4-BENZYLPIPERAZIN-1-YL)ACETIC ACID

terbuthylazine d5

C9H11ClD5N5 (234.1408)

Pyrrolidin-3-ylmethyl-carbamic acid benzyl ester

1,1-BIS-(4-METHYLPHENYL)-BUTA-1,3-DIENE

tert-butyl 7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

2-((4-Methylpiperazin-1-yl)Methyl)phenylboronic acid

TERT-BUTYL 3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE

(S)-1-Cbz-2-aminomethylpyrrolidine

4-Methoxyphenylboronic Acid Pinacol Ester

3-METHOXYPHENYLBORONIC ACID PINACOL ESTER

PIPERIDINE-4-CARBOXYLIC ACID (4-METHOXY-PHENYL)-AMIDE

PIPERIDINE-3-CARBOXYLIC ACID (4-METHOXY-PHENYL)-AMIDE

5-Amino-1,3-dihydroisoindole-2-carboxylic acid tert-butyl ester

2-(2-Methyl-2-propanyl)anthracene

2-(2-methoxyloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANOL

ethyl 3-phenylpiperazine-1-carboxylate

Hexyl disulfide

C12H26S2 (234.1476)

3-(4-PHENYLPIPERAZIN-1-YL)PROPANOICACID

2-(DIMETHYLAMINO)-1-(6-METHOXYINDOLIN-1-YL)ETHANONE

2-Ethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

1-(3-BROMOPROPOXY)-4-TERT-BUTYLBENZENE

Benzyl 1-homopiperazine carboxylate

Methyl 4-benzylpiperazine-2-carboxylate

1-Isobutyl-7-nitro-1,2,3,4-tetrahydroquinoline

Methyl 2,4-dihydroxypyrimidine-5-carboxylate

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzenediamine

9-Butylphenanthrene

(R)-N-BOC-3-AMINO-3-PHENYL-PROPAN-1-OL

(S)-2-N-Cbz-Aminomethyl-pyrrolidine

Benzyl (2S)-2-methyl-1-piperazinecarboxylate

ETHYL2-PIPERAZINOBENZOATE

9-Butylanthracene

4-ETHYL-PIPERAZINE-1-CARBOXYLIC ACID PHENYL ESTER

9,10-diethylphenanthrene

AKOS BB-5396

3-(4-Methylpiperazin-1-ylmethyl)benzoic acid

4-(4-Ethyl-1-piperazinyl)benzoic acid

R-3-(Cbz-aminomethyl)-pyrrolidine

METHYL 4-(4-METHYLPIPERAZIN-1-YL)BENZOATE

2,3-DIBENZYL-1,3-BUTADIENE

(R)-METHYL 4-(3-METHYLPIPERAZIN-1-YL)BENZOATE

Methyl 3-amino-1-benzylpyrrolidine-3-carboxylate

1-Cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

ETHYL 4-(PYRIDIN-3-YL)PIPERIDINE-4-CARBOXYLATE

ETHYL3-(1-PIPERAZINYL)BENZOATE

1,12-DIMERCAPTODODECANE

C12H26S2 (234.1476)

tert-butyl 6-aminoindoline-1-carboxylate

1-[(4-methylphenoxy)acetyl]piperazine hydrochloride

ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoate

tert-Butyl 3-aminoindoline-1-carboxylate

N-(4-CHLOROBENZYL)-2-METHOXY-1-ETHANAMINE

Benzyl (3S)-3-methyl-1-piperazinecarboxylate

(R)-1-Cbz-3-methylpiperazine

n-cyclohexylmethyl-o-nitroaniline

tert-Butyl 4-aminoisoindoline-2-carboxylate

(3-((4-Methylpiperazin-1-yl)Methyl)phenyl)boronic acid

2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

1-((2,3-DIHYDROBENZO[B][1,4]DIOXIN-6-YL)METHYL)PIPERAZINE

N-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-AMINE

2-(4-Methylpiperazin-1-ylmethyl)benzoic acid

(3-((CYCLOHEXYLOXY)METHYL)PHENYL)BORONIC ACID

1-HYDROXY-2,2,5,5-TETRAMETHYL-4-PHENYL-3-IMIDAZOLINE-3-OXIDE

TERT-BUTYL 3,4-DIHYDRO-1,8-NAPHTHYRIDINE-1(2H)-CARBOXYLATE

TERT-BUTYL INDOLIN-6-YLCARBAMATE

3-Methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol

2-(2,2-diethoxyethyl)-1,3-propanediol monoacetate

(R)-2-(AMINOMETHYL)-1-CBZ-PYRROLIDINE

Benzyl-2-methylpiperazin-1-carboxylat

Benzyl (3R)-3-piperidinylcarbamate

4-(Cyclohexyloxy)Methylphenylboronic acid

4-(tert-butyldimethylsiloxy)styrene

2,3,9,10-TETRAMETHYLANTRACENE

Di-n-butyl allylphosphonate, tech., 90\\%

C11H23O3P (234.1385)

N-METHYL-6-(4-METHYL-PIPERAZIN-1-YL)-NICOTINAMIDE

1-Methyl-4-[(4-propylphenyl)ethynyl]benzene

(S)-Benzyl 2-(aminomethyl)pyrrolidine-1-carboxylate

(S)-3-N-CBZ-AMINOPIPERIDINE

2-[1-(BOC-AMINO)CYCLOPROPYL]PYRIDINE

methyl 3-(piperazin-1-ylmethyl)benzoate

methyl 4-(2-methylpiperazin-1-yl)benzoate

2-(3-ethylpiperazin-1-yl)benzoic acid

methyl 3-(3-methylpiperazin-1-yl)benzoate

methyl 2-(3-methylpiperazin-1-yl)benzoate

4-Acetamido-N-tert-butylbenzamide

Visoltricin

12-Chlorododecanoic acid

C12H23ClO2 (234.1386)

3,8-Dioxa-2,9-disiladecane, 2,2,9,9-tetramethyl-

C10H26O2Si2 (234.1471)

3-Amino-5-[(p-hydroxyphenyl) methyl]-4,4-dimethyl-2-pyrrolidinone

lys-aminoxyAla

C9H20N3O4+ (234.1454)

[(2S)-3-carboxy-2-(3-hydroxypropanoyloxy)propyl]-trimethylazanium

C10H20NO5+ (234.1341)

3-(2-Aminoethyl)-5-methoxy-1,3-dimethyl-2-indolone

N-[2-(1-cyclohexenyl)ethyl]-5-methyl-3-isoxazolecarboxamide

[(E)-[4-(diethylamino)phenyl]methylideneamino]urea

Methylphenidate(1+)

C14H20NO2+ (234.1494)

Benzocycloheptene, 1-trimethylsilyloxy-

Benzocycloheptene, 3-trimethylsilyloxy-

3-Methyl-1-phenyl-2-trimethylsilyloxy-2-butene

2-[(Trimethylsilyl)methyl]-1-phenyl-3-buten-1-ol

p-Coumaroylputrescine

A natural product found in Buxus natalensis and Nicotiana tabacum.

4-Coumaroylputrescine

Cinnamoylcholine

C14H20NO2+ (234.1494)

N-(4-aminobutyl)-3-(4-hydroxyphenyl)prop-2-enamide

3-Amino-5-[(4-hydroxyphenyl)methyl]-4,4-dimethylpyrrolidin-2-one

Chlorododecanoic acid

C12H23ClO2 (234.1386)

[(5,7-dimethoxy-1h-indol-3-yl)methyl]dimethylamine

11-ethoxy-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-6-one

3,4,5,6-tetramethyl phenanthrene

{"Ingredient_id": "HBIN007246","Ingredient_name": "3,4,5,6-tetramethyl phenanthrene","Alias": "NA","Ingredient_formula": "C18H18","Ingredient_Smile": "CC1=C(C2=C(C=C1)C=CC3=C2C(=C(C=C3)C)C)C","Ingredient_weight": "234.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8340","PubChem_id": "23769","DrugBank_id": "NA"}

5-methoxy-n,n-dimethyl-tryptamine nb-oxide

2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethanamine oxide; 5-methoxy-n,n-dimethyl-tryptaminenb-oxide; AC1NSY2J; SCHEMBL5041561; 5-methoxy-n,n-dimethyltryptamine-n-oxide