Dataset

OCTYLALDEHYDE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP001483 contains the MS mass spectrum of OCTYLALDEHYDE with the InChIkey NUJGJRNETVAIRJ-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
SMILES	CCCCCCCC=O
InChI Key	NUJGJRNETVAIRJ-UHFFFAOYSA-N
Molecular Formula	C8H16O
Exact Mass	128.120 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-JP001483
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:54:54.512210
MetadataModified	2024-01-11T15:54:54.672399
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
PD166753	ProbesDrugs
14916039	PubChem: Thomson Pharma
124-13-0	ACToR
XGE9999H19	FDA SRS
MCULE-7111365457	Mcule
454	PubChem
J2.504F	Nikkaji
SCHEMBL15990705	SureChEMBL
SCHEMBL28601	SureChEMBL
20031905	NMRShiftDB
UJURAV	CCDC
50028817	BindingDB
ZINC000001529222	ZINC
LMFA06000028	LipidMaps
DTXSID3021643	EPA CompTox Dashboard
CAPRYLALDEHYDE	rxnorm
6410	Brenda
67096	Brenda
4938	Brenda
32363	Brenda
12639	Brenda
144757	Brenda
148224	Brenda
MTBLC17935	Metabolights
837	Brenda
SLM:000389951	SwissLipids
CB0225180	ChemicalBook
17935	Rhea
HMDB0001140	Human Metabolome Database
49933	Brenda
23852	Brenda
17655	Brenda
C01545	KEGG Ligand
CHEMBL18407	ChEMBL
17935	ChEBI
OYA	PDBe
488975	eMolecules
The data in this table is sourced from UniChem at EBI.