Dataset

Pimaric acid

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81961 contains the MS mass spectrum of Pimaric acid with the InChIkey MHVJRKBZMUDEEV-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22)
SMILES CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C
InChI Key MHVJRKBZMUDEEV-UHFFFAOYSA-N
Molecular Formula C20H30O2
Exact Mass 302.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81961
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:25:43.654597
MetadataModified 2024-01-11T22:25:43.823144
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10116 PubChem
30083748 eMolecules
PD094778 ProbesDrugs
60061132 NMRShiftDB
SCHEMBL10819486 SureChEMBL
16889679 PubChem: Thomson Pharma
MCULE-4428892848 Mcule
The data in this table is sourced from UniChem at EBI.