Dataset

GERANYL BUTYRATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006406 contains the MS mass spectrum of GERANYL BUTYRATE with the InChIkey ZSBOMYJPSRFZAL-JLHYYAGUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10+
SMILES CCCC(=O)OCC=C(C)CCC=C(C)C
InChI Key ZSBOMYJPSRFZAL-JLHYYAGUSA-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-JP006406
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:30.617422
MetadataModified 2024-01-11T15:55:30.852655
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
595677 eMolecules
60023454 NMRShiftDB
196029 ChEBI
69AVH8L7KL FDA SRS
999-40-6 ACToR
57249886 PubChem: Thomson Pharma
5355856 PubChem
106-29-6 ACToR
CB5670176 ChemicalBook
LMFA07010616 LipidMaps
DTXSID1047152 EPA CompTox Dashboard
J183.077E Nikkaji
J127.224A Nikkaji
ZINC000001677814 ZINC
CHEMBL3187344 ChEMBL
SCHEMBL118465 SureChEMBL
The data in this table is sourced from UniChem at EBI.