Dataset

ALPHA-TERPINYL ACETATE; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP006479 contains the MS mass spectrum of ALPHA-TERPINYL ACETATE with the InChIkey IGODOXYLBBXFDW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3
SMILES CC(=O)OC(C)(C)C(C1)CC=C(C)C1
InChI Key IGODOXYLBBXFDW-UHFFFAOYSA-N
Molecular Formula C12H20O2
Exact Mass 196.146 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-JP006479
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-(4-methylcyclohex-3-en-1-yl)propan-2-yl acetate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    SCHEMBL580624 SureChEMBL
    MCULE-6716714175 Mcule
    HMDB0032051 Human Metabolome Database
    CB2161886 ChemicalBook
    111037 PubChem
    14818666 PubChem: Thomson Pharma
    39427-28-6 ACToR
    58206-95-4 ACToR
    80-26-2 ACToR
    8007-35-0 ACToR
    7785-54-8 ACToR
    60019087 NMRShiftDB
    PD098335 ProbesDrugs
    531909 eMolecules
    CHEMBL3183581 ChEMBL
    J1.301C Nikkaji
    233677 Brenda
    9RXE0I9F2J FDA SRS
    HY-N7136 MedChemExpress
    DB15957 DrugBank
    32320 ChEBI
    LMPR0102090045 LipidMaps
    DTXSID2026496 EPA CompTox Dashboard
    C12300 KEGG Ligand
    The data in this table is sourced from UniChem at EBI.