Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)10-7-11(16-5)9-12(8-10)17-6/h7-9H,1-6H3
SMILES COc1cc(cc(c1)OC)B1OC(C(O1)(C)C)(C)C
InChI Key CZYHRTIJLUONKY-UHFFFAOYSA-N
Molecular Formula C14H21BO4
Exact Mass 264.125 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CZYHRTIJLUONKY-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/CZYHRTIJLUONKY-UHFFFAOYSA-N/CHMO0000470
Version
Author Yichuan Wang
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T00:51:17.704779
MetadataModified 2024-09-08T00:51:17.704785
MetadataPublished 2023-04-07
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
16217660 PubChem
MCULE-7328145795 Mcule
49659129 PubChem: Thomson Pharma
525458 eMolecules
ZINC000169799293 ZINC
DTXSID60584477 EPA CompTox Dashboard
J1.684.301F Nikkaji
SCHEMBL1560148 SureChEMBL
CB7680759 ChemicalBook
The data in this table is sourced from UniChem at EBI.