Dataset

CYCLOHEPTANONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007658 contains the MS mass spectrum of CYCLOHEPTANONE with the InChIkey CGZZMOTZOONQIA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
SMILES O=C(C1)CCCCC1
InChI Key CGZZMOTZOONQIA-UHFFFAOYSA-N
Molecular Formula C7H12O
Exact Mass 112.089 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-JP007658
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:58:00.459366
MetadataModified 2024-01-11T15:58:00.631749
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL18607 ChEMBL
DEDVIV CCDC
J6.199I Nikkaji
50028831 BindingDB
ZINC000008602965 ZINC
DTXSID8060113 EPA CompTox Dashboard
10400 PubChem
QH80295937 FDA SRS
15291574 PubChem: Thomson Pharma
SCHEMBL6077 SureChEMBL
502-42-1 ACToR
MCULE-3507111924 Mcule
10005717 NMRShiftDB
CB9137378 ChemicalBook
5956 Brenda
494993 eMolecules
The data in this table is sourced from UniChem at EBI.