Dataset

1-PENTANOL

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005668 contains the MS mass spectrum of 1-PENTANOL with the InChIkey AMQJEAYHLZJPGS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
SMILES	CCCCCO
InChI Key	AMQJEAYHLZJPGS-UHFFFAOYSA-N
Molecular Formula	C5H12O
Exact Mass	88.089 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-JP005668
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:16.790180
MetadataModified	2024-01-11T15:55:16.973028
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C16834	KEGG Ligand
CHEMBL14568	ChEMBL
44884	ChEBI
PE9	PDBe
481385	eMolecules
DTXSID6021741	EPA CompTox Dashboard
LMFA05000112	LipidMaps
ZINC000001687154	ZINC
2278	Brenda
10008652	NMRShiftDB
CB3158874	ChemicalBook
HMDB0013036	Human Metabolome Database
45324	Brenda
1156	Brenda
MTBLC44884	Metabolights
6137	Brenda
113922	Brenda
1542	Brenda
CB7158872	ChemicalBook
52151	Brenda
M9L931X26Y	FDA SRS
15321069	PubChem: Thomson Pharma
71-41-0	ACToR
SCHEMBL10668	SureChEMBL
6276	PubChem
J1.423K	Nikkaji
MCULE-8714292632	Mcule
The data in this table is sourced from UniChem at EBI.