Dataset

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

This MassBank record with Accession MSBNK-Fiocruz-FIO00470 contains the MS2 mass spectrum of Mepacrine with the InChIkey GPKJTRJOBQGKQK-UHFFFAOYSA-N.

InChI	InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
SMILES	CCN(CC)CCCC(C)Nc(c21)c(c3)c(ccc(OC)3)nc(cc(Cl)cc2)1
InChI Key	GPKJTRJOBQGKQK-UHFFFAOYSA-N
Molecular Formula	C23H30ClN3O
Exact Mass	399.208 g/mol

Data and Resources

Related Molecule ⌄

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00470
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB01103	drugbank
CHEBI:8711	chebi
CHEMBL7568	chembl
19225	surechembl
29363141	surechembl
237	pubchem
H0C805XYDE	fdasrs
10172	gtopdb
PD009806	probes_and_drugs
105492	brenda
107156	brenda
1593	brenda
171917	brenda
29761	brenda
38969	brenda
44829	brenda
5181	brenda
98049	brenda
HMDB0015235	hmdb
356263	bindingdb
356358	bindingdb
50099043	bindingdb
50189373	bindingdb
50189381	bindingdb
50371084	bindingdb
50503971	bindingdb
50507174	bindingdb
50557746	bindingdb
50560084	bindingdb
50608946	bindingdb
50613033	bindingdb
50613053	bindingdb
50645413	bindingdb
50714578	bindingdb
50714582	bindingdb
50723516	bindingdb
50723528	bindingdb
50723628	bindingdb
50723641	bindingdb
50753512	bindingdb
50779187	bindingdb
50779189	bindingdb
50813530	bindingdb
50870615	bindingdb
50996558	bindingdb
51003752	bindingdb
51026691	bindingdb
51463153	bindingdb
51463176	bindingdb
51487402	bindingdb
51491075	bindingdb
51529429	bindingdb
51561870	bindingdb
874418	bindingdb
Molport-001-739-072	molport
2338	drugcentral
The data in this table is sourced from UniChem at EBI.