Dataset

2-OCTANOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000285 contains the MS mass spectrum of 2-OCTANOL with the InChIkey SJWFXCIHNDVPSH-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3
SMILES	CCCCCCC(C)O
InChI Key	SJWFXCIHNDVPSH-UHFFFAOYSA-N
Molecular Formula	C8H18O
Exact Mass	130.136 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-JP000285
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:17.143285
MetadataModified	2024-01-11T15:55:17.296190
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
37869	ChEBI
CHEMBL510068	ChEMBL
491011	eMolecules
20083	PubChem
60019144	NMRShiftDB
4128-31-8	ACToR
113301-48-7	ACToR
14747665	PubChem: Thomson Pharma
6169-06-8	ACToR
25339-16-6	ACToR
113244-40-9	ACToR
123-96-6	ACToR
5978-70-1	ACToR
MCULE-5095200181	Mcule
SCHEMBL23502	SureChEMBL
J9.883C	Nikkaji
LMFA05000620	LipidMaps
233242	Brenda
DTXSID0027014	EPA CompTox Dashboard
66B0DD5E40	FDA SRS
2-OCTANOL	rxnorm
CB3272125	ChemicalBook
218082	Brenda
CB0272124	ChemicalBook
5099	Brenda
49310	Brenda
HMDB0034261	Human Metabolome Database
MTBLC37869	Metabolights
The data in this table is sourced from UniChem at EBI.