Dataset

Minocycline

This MassBank record with Accession MSBNK-Waters-WA001387 contains the MS mass spectrum of Minocycline with the InChIkey DYKFCLLONBREIL-KVUCHLLUSA-N.

InChI	InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1
SMILES	CN(C)c(c4)c(C3)c(c(O)c4)C(=O)C(C32)=C(O)C(O)(C(=O)1)C(C2)C(N(C)C)C(O)=C(C(N)=O)1
InChI Key	DYKFCLLONBREIL-KVUCHLLUSA-N
Molecular Formula	C23H27N3O7
Exact Mass	457.185 g/mol

Data and Resources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001387
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:48:23.347697
MetadataModified	2024-01-11T22:48:23.511432
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
77906	ChEBI
SCHEMBL4042	SureChEMBL
J8.983D	Nikkaji
MINOCYCLINE	DailyMed
ZINC000014879992	ZINC
50103599	BindingDB
MINOCYCLINE HYDROCHLORIDE	rxnorm
MINOLIRA	rxnorm
MINOCYCLINE	rxnorm
XIMINO	rxnorm
MINOCIN	rxnorm
ARESTIN	rxnorm
ARESTIN	clinicaltrials
MINOCIN	clinicaltrials
MINOCYCLINE	clinicaltrials
MINOCYCLINE HYDROCHLORIDE	clinicaltrials
XIMINO	clinicaltrials
SOLODYN	clinicaltrials
DYNACIN	clinicaltrials
DTXSID1045033	EPA CompTox Dashboard
LMPK07000002	LipidMaps
1813	DrugCentral
SOLODYN	rxnorm
60023388	NMRShiftDB
CHEMBL1434	ChEMBL
50694	ChEBI
MIY	PDBe
C07225	KEGG Ligand
AMZEEQ	clinicaltrials
10118-90-8	ACToR
FYY3R43WGO	FDA SRS
14931367	PubChem: Thomson Pharma
14808929	PubChem: Thomson Pharma
PD009592	ProbesDrugs
DB01017	DrugBank
minocycline	DailyMed
77906	Rhea
HMDB0015152	Human Metabolome Database
MTBLC77906	Metabolights
MTBLC50694	Metabolights
MolPort-020-005-814	MolPort
The data in this table is sourced from UniChem at EBI.