Dataset

METHYL NONANOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007006 contains the MS mass spectrum of METHYL NONANOATE with the InChIkey IJXHLVMUNBOGRR-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
SMILES	CCCCCCCCC(=O)OC
InChI Key	IJXHLVMUNBOGRR-UHFFFAOYSA-N
Molecular Formula	C10H20O2
Exact Mass	172.146 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-JP007006
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:57:15.064874
MetadataModified	2024-01-11T15:57:15.234212
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DB01631	DrugBank
CHEMBL1234788	ChEMBL
44499	ChEBI
NON	PDBe
491414	eMolecules
HMDB0031264	Human Metabolome Database
CB7359226	ChemicalBook
MTBLC44499	Metabolights
126057	Brenda
ZINC000002039285	ZINC
LMFA07010963	LipidMaps
DTXSID8061921	EPA CompTox Dashboard
MCULE-4760106079	Mcule
20025083	NMRShiftDB
15606	PubChem
BIPJUI	CCDC
J573H	Nikkaji
SCHEMBL309872	SureChEMBL
PD008905	ProbesDrugs
7XKD6QOH68	FDA SRS
15265403	PubChem: Thomson Pharma
1731-84-6	ACToR
The data in this table is sourced from UniChem at EBI.