Dataset

PENTYL BUTYRATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006499 contains the MS mass spectrum of PENTYL BUTYRATE with the InChIkey CFNJLPHOBMVMNS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H18O2/c1-3-5-6-8-11-9(10)7-4-2/h3-8H2,1-2H3
SMILES	CCCCCOC(=O)CCC
InChI Key	CFNJLPHOBMVMNS-UHFFFAOYSA-N
Molecular Formula	C9H18O2
Exact Mass	158.131 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-JP006499
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:55:04.050471
MetadataModified	2024-01-11T15:55:04.211606
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL117196	SureChEMBL
20096910	NMRShiftDB
LMFA07010989	LipidMaps
DTXSID4041604	EPA CompTox Dashboard
MCULE-8850994391	Mcule
87684	ChEBI
J2.633F	Nikkaji
CHEMBL3183048	ChEMBL
ZINC000001586317	ZINC
101063	Brenda
166735	Brenda
HMDB0034162	Human Metabolome Database
MTBLC87684	Metabolights
CB8747525	ChemicalBook
540-18-1	ACToR
14843077	PubChem: Thomson Pharma
3Q2JP0VD8J	FDA SRS
595513	eMolecules
10890	PubChem
The data in this table is sourced from UniChem at EBI.