Dataset

CYCLODODECANE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP012194 contains the MS mass spectrum of CYCLODODECANE with the InChIkey DDTBPAQBQHZRDW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2
SMILES C(C1)CCCCCCCCCC1
InChI Key DDTBPAQBQHZRDW-UHFFFAOYSA-N
Molecular Formula C12H24
Exact Mass 168.188 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-JP012194
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:30.202902
MetadataModified 2024-01-11T15:55:30.367687
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3715442 eMolecules
294-62-2 ACToR
9268 PubChem
14992475 PubChem: Thomson Pharma
97CN13ZD83 FDA SRS
CHEMBL3185808 ChEMBL
HMDB0302505 Human Metabolome Database
CDODEC CCDC
30000701 NMRShiftDB
SCHEMBL122689 SureChEMBL
J43.296B Nikkaji
MCULE-7420288531 Mcule
CB2493169 ChemicalBook
ZINC000054962163 ZINC
DTXSID9021552 EPA CompTox Dashboard
The data in this table is sourced from UniChem at EBI.