Dataset

Sarafloxacin

This MassBank record with Accession MSBNK-Athens_Univ-AU103504 contains the MS2 mass spectrum of Sarafloxacin with the InChIkey XBHBWNFJWIASRO-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)
SMILES	c1cc(ccc1n2cc(c(=O)c3c2cc(c(c3)F)N4CCNCC4)C(=O)O)F
InChI Key	XBHBWNFJWIASRO-UHFFFAOYSA-N
Molecular Formula	C20H17F2N3O3
Exact Mass	385.124 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU103504
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T10:05:47.049282
MetadataModified	2025-02-08T19:08:48.158792
MetadataPublished	2015-09-22

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL37858	ChEMBL
DB11491	DrugBank
94493	ChEBI
10857	Guide to Pharmacology
DTXSID8048494	EPA CompTox Dashboard
J134.054I	Nikkaji
ZINC000000538330	ZINC
CB6334556	ChemicalBook
HMDB0039526	Human Metabolome Database
56208	PubChem
MCULE-8937074288	Mcule
25273230	PubChem
PD013305	ProbesDrugs
CB82623294	ChemicalBook
RC3WJ907XY	FDA SRS
14853815	PubChem: Thomson Pharma
LSM-5263	LINCS
98105-99-8	ACToR
SCHEMBL311593	SureChEMBL
498622	eMolecules
The data in this table is sourced from UniChem at EBI.