Dataset

GERANYL ISOBUTYRATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006981 contains the MS mass spectrum of GERANYL ISOBUTYRATE with the InChIkey OGJYXQFXLSCKTP-UKTHLTGXSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H24O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,9,12H,6,8,10H2,1-5H3/b13-9+
SMILES CC(C)=CCCC(C)=CCOC(=O)C(C)C
InChI Key OGJYXQFXLSCKTP-UKTHLTGXSA-N
Molecular Formula C14H24O2
Exact Mass 224.178 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-JP006981
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:20.841366
MetadataModified 2024-01-11T15:56:21.002005
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2345-24-6 ACToR
P6D2F72907 FDA SRS
60029908 NMRShiftDB
2345-26-8 ACToR
17495761 PubChem: Thomson Pharma
CB2380782 ChemicalBook
DTXSID8051889 EPA CompTox Dashboard
SCHEMBL397326 SureChEMBL
J183.047C Nikkaji
J35.370A Nikkaji
145741 ChEBI
ZINC000001850861 ZINC
6086514 PubChem
The data in this table is sourced from UniChem at EBI.