Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C21H38O3/c1-5-6-7-8-9-10-11-12-13-14-17-21(23)18(22)15-16-19(21)24-20(2,3)4/h15-16,19,23H,5-14,17H2,1-4H3/t19-,21-/m0/s1
SMILES CCCCCCCCCCCC[C@]1(O)C(=O)C=C[C@@H]1OC(C)(C)C
InChI Key XYTFEHOVKCFNQD-FPOVZHCZSA-N
Molecular Formula C21H38O3
Exact Mass 338.525 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XYTFEHOVKCFNQD-FPOVZHCZSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/XYTFEHOVKCFNQD-FPOVZHCZSA-N/CHMO0000498
Version
Author Toni Ditfe
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:59:14.397323
MetadataModified 2024-09-07T23:51:17.123154
MetadataPublished 2022-11-16
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
165416623 PubChem
The data in this table is sourced from UniChem at EBI.