Dataset

CITRONELLYL FORMATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007550 contains the MS mass spectrum of CITRONELLYL FORMATE with the InChIkey DZNVIZQPWLDQHI-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H20O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,9,11H,4,6-8H2,1-3H3
SMILES O=COCCC(C)CCC=C(C)C
InChI Key DZNVIZQPWLDQHI-UHFFFAOYSA-N
Molecular Formula C11H20O2
Exact Mass 184.146 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-JP007550
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3,7-dimethyloct-6-enyl formate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    C12295 KEGG Ligand
    J2.854A Nikkaji
    J325.841F Nikkaji
    J320.490A Nikkaji
    CB3775196 ChemicalBook
    CHEMBL3184928 ChEMBL
    7B1MY2BRDK FDA SRS
    31406 ChEBI
    LMPR0102010014 LipidMaps
    DTXSID1044772 EPA CompTox Dashboard
    CB0775195 ChemicalBook
    SCHEMBL416782 SureChEMBL
    MCULE-2860533435 Mcule
    HMDB0033371 Human Metabolome Database
    7778 PubChem
    15195234 PubChem: Thomson Pharma
    105-85-1 ACToR
    93919-91-6 ACToR
    93919-93-8 ACToR
    60019136 NMRShiftDB
    595623 eMolecules
    The data in this table is sourced from UniChem at EBI.