Dataset

METHYL BUTYRATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002543 contains the MS mass spectrum of METHYL BUTYRATE with the InChIkey UUIQMZJEGPQKFD-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
SMILES	CCCC(=O)OC
InChI Key	UUIQMZJEGPQKFD-UHFFFAOYSA-N
Molecular Formula	C5H10O2
Exact Mass	102.068 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-JP002543
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T15:56:18.554075
MetadataModified	2024-01-11T15:56:18.705609
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB1853999	ChemicalBook
173742	Brenda
4831	Brenda
100923	Brenda
133549	Brenda
44420	Brenda
HMDB0033890	Human Metabolome Database
MCULE-1092030267	Mcule
LMFA07010528	LipidMaps
DTXSID5047083	EPA CompTox Dashboard
ZINC000000404765	ZINC
88806	ChEBI
NAMVIH	CCDC
10016820	NMRShiftDB
J45.010C	Nikkaji
SCHEMBL13685	SureChEMBL
15146399	PubChem: Thomson Pharma
12180	PubChem
623-42-7	ACToR
CGX598508O	FDA SRS
CHEMBL15859	ChEMBL
487212	eMolecules
The data in this table is sourced from UniChem at EBI.