Dataset

HENEICOSANE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012171 contains the MS mass spectrum of HENEICOSANE with the InChIkey FNAZRRHPUDJQCJ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
SMILES	CCCCCCCCCCCCCCCCCCCCC
InChI Key	FNAZRRHPUDJQCJ-UHFFFAOYSA-N
Molecular Formula	C21H44
Exact Mass	296.344 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP012171
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:14.575649
MetadataModified	2024-01-11T15:55:14.724313
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB4294102	ChemicalBook
ZINC000062233929	ZINC
MTBLC32931	Metabolights
HMDB0061782	Human Metabolome Database
DTXSID9047097	EPA CompTox Dashboard
LMFA11000572	LipidMaps
HY-W089845	MedChemExpress
MCULE-3230962872	Mcule
J1.706J	Nikkaji
ZZZOQO	CCDC
SCHEMBL198323	SureChEMBL
12403	PubChem
14825071	PubChem: Thomson Pharma
60018546	NMRShiftDB
PD158430	ProbesDrugs
I93S5U5DMP	FDA SRS
629-94-7	ACToR
494771	eMolecules
32931	ChEBI
The data in this table is sourced from UniChem at EBI.