Molecule

(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid

Chemical Information

29 Related Dataset(s) ⌄

CHLOROGENIC ACID; FD-B; MS

Chlorogenic acid; GC-EI-TOF; MS; n TMS; RT:1078.990 sec

Chlorogenic acid; GC-EI-TOF; MS; n TMS; RT:1111.990 sec

Chlorogenic acid; LC-ESI-IT; MS2; m/z: 355; [M+H]+

Chlorogenic acid; LC-ESI-IT; MS3; m/z: 355/163; [M+H]+

Chlorogenic acid; LC-ESI-QQ; MS2

Chlorogenic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Chlorogenic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Chlorogenic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

Chlorogenic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

Chlorogenic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Chlorogenic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Chlorogenic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

Chlorogenic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Chlorogenic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

Chlorogenic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

Chlorogenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 10eV

Chlorogenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 20eV

Chlorogenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 30eV

Chlorogenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 40eV

Chlorogenic acid; LC-ESI-QTOF; MS2; [M+H]+; CE: 50eV

Chlorogenic acid; LC-ESI-QTOF; MS2; [M-H]-; CE: 10eV

Chlorogenic acid; LC-ESI-QTOF; MS2; [M-H]-; CE: 20eV

Chlorogenic acid; LC-ESI-QTOF; MS2; [M-H]-; CE: 30eV

Chlorogenic acid; LC-ESI-QTOF; MS2; [M-H]-; CE: 40eV

Chlorogenic acid; LC-ESI-QTOF; MS2; [M-H]-; CE: 50eV

Chlorogenic Acid; LC-ESI-QTOF; MS2; CE:10 eV; [M+H]+

Chlorogenic Acid; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+

Chlorogenic Acid; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol28923
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DB12029	drugbank
CHEBI:16112	chebi
A1EG7	rcsb_pdb
CHEMBL284616	chembl
19466	surechembl
29352174	surechembl
1794427	pubchem
318ADP12RI	fdasrs
A1EG7	pdbe
PD002138	probes_and_drugs
BIQTED	CCDC
139702	brenda
139703	brenda
158336	brenda
169588	brenda
169591	brenda
170352	brenda
170417	brenda
20186	brenda
233434	brenda
256599	brenda
592	brenda
HMDB0003164	hmdb
Molport-001-740-212	molport
50327036	bindingdb
The data in this table is sourced from UniChem at EBI.