Molecule

1,2,4-trihydroxyanthracene-9,10-dione

Chemical Information

19 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

correlation spectroscopy (COSY)

distortionless enhancement with polarization transfer (DEPT)

distortionless enhancement with polarization transfer (DEPT)

heteronuclear multiple bond coherence (HMBC)

heteronuclear single quantum coherence (HSQC)

Purpurin; LC-ESI-QFT; MS2; CE: 15; R=17500; [M-H]-

Purpurin; LC-ESI-QFT; MS2; CE: 30; R=17500; [M-H]-

Purpurin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M-H]-

Purpurin; LC-ESI-QFT; MS2; CE: 45; R=17500; [M-H]-

Purpurin; LC-ESI-QFT; MS2; CE: 60; R=17500; [M-H]-

Purpurin; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-

Purpurin; LC-ESI-QFT; MS2; CE: 90; R=17500; [M-H]-

Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+

Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@15.0; [M+H]+

Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+

Purpurin; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+

Purpurin; LC-ESI-QQQ; MS; [M+H]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol5982
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEBI:8645	chebi
9TF	rcsb_pdb
CHEMBL294264	chembl
29429206	surechembl
29539242	surechembl
33871	surechembl
6683	pubchem
L1GT81LS6N	fdasrs
PD000957	probes_and_drugs
YEQGIO	CCDC
33231	brenda
9TF - Ideal conformer	pdbe
HMDB0256928	hmdb
Molport-000-627-704	molport
67454	bindingdb
The data in this table is sourced from UniChem at EBI.