Dataset

BETA-PINENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP007118 contains the MS mass spectrum of BETA-PINENE with the InChIkey WTARULDDTDQWMU-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
SMILES C=C(C2)C(C1)C(C)(C)C(C2)1
InChI Key WTARULDDTDQWMU-UHFFFAOYSA-N
Molecular Formula C10H16
Exact Mass 136.125 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-JP007118
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:12:10.680892
MetadataModified 2025-02-09T12:11:02.602643
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC50025 Metabolights
50025 ChEBI
SCHEMBL13300 SureChEMBL
14896 PubChem
60018986 NMRShiftDB
PD076341 ProbesDrugs
127-91-3 ACToR
12002-07-2 ACToR
211108-08-6 ACToR
18172-67-3 ACToR
3716369 eMolecules
DB15574 DrugBank
J2.017F Nikkaji
DTXSID7027049 EPA CompTox Dashboard
50025 Rhea
CHEMBL501351 ChEMBL
C09882 KEGG Ligand
The data in this table is sourced from UniChem at EBI.