Dataset

Dihydrojasmone

This MassBank record with Accession MSBNK-Fiocruz-FIO00050 contains the MS2 mass spectrum of Dihydrojasmone with the InChIkey YCIXWYOBMVNGTB-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C11H18O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h3-8H2,1-2H3
SMILES CCCCCC(=C(C)1)C(=O)CC1
InChI Key YCIXWYOBMVNGTB-UHFFFAOYSA-N
Molecular Formula C11H18O
Exact Mass 166.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00050
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:39:41.490057
MetadataModified 2024-01-11T16:39:41.684724
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MolPort-003-925-033 MolPort
J12.280G Nikkaji
HY-N7098 MedChemExpress
SCHEMBL114204 SureChEMBL
MCULE-6930955162 Mcule
10009223 NMRShiftDB
62378 PubChem
14843129 PubChem: Thomson Pharma
1128-08-1 ACToR
PD088153 ProbesDrugs
Y953R7PP90 FDA SRS
474282 eMolecules
143730 ChEBI
CB4487865 ChemicalBook
ZINC000004521084 ZINC
HMDB0031565 Human Metabolome Database
CHEMBL3728427 ChEMBL
DTXSID4051584 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.