Dataset

ISOPENTYL ISOBUTYRATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006971 contains the MS mass spectrum of ISOPENTYL ISOBUTYRATE with the InChIkey VFTGLSWXJMRZNB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H18O2/c1-7(2)5-6-11-9(10)8(3)4/h7-8H,5-6H2,1-4H3
SMILES CC(C)CCOC(=O)C(C)C
InChI Key VFTGLSWXJMRZNB-UHFFFAOYSA-N
Molecular Formula C9H18O2
Exact Mass 158.131 g/mol

Data and Resources

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-JP006971
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:11.512140
MetadataModified 2024-01-11T15:57:11.696841
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
RF0ZT103EG FDA SRS
2050-01-3 ACToR
596025 eMolecules
519786 PubChem
30096625 NMRShiftDB
SCHEMBL351059 SureChEMBL
MCULE-3390836356 Mcule
HMDB0036234 Human Metabolome Database
MTBLC87537 Metabolights
CB6131315 ChemicalBook
LMFA07010572 LipidMaps
J1.793K Nikkaji
DTXSID0062131 EPA CompTox Dashboard
87537 ChEBI
ZINC000002515951 ZINC
The data in this table is sourced from UniChem at EBI.