Dataset

Farrerol

This MassBank record with Accession MSBNK-BS-BS003519 contains the MS2 mass spectrum of Farrerol with the InChIkey DYHOLQACRGJEHX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3
SMILES C(C1=C(C2=C(C(=C1O[H])C([H])([H])[H])OC(C(C2=O)([H])[H])(C3=C(C(=C(C(=C3[H])[H])O[H])[H])[H])[H])O[H])([H])([H])[H]
InChI Key DYHOLQACRGJEHX-UHFFFAOYSA-N
Molecular Formula C17H16O5
Exact Mass 300.100 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-BS-BS003519
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:55.974629
MetadataModified 2024-01-11T12:33:56.132629
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
91144 PubChem
60028712 NMRShiftDB
85850933 PubChem: Thomson Pharma
SCHEMBL928045 SureChEMBL
PD086902 ProbesDrugs
CB4417440 ChemicalBook
CHEMBL1224582 ChEMBL
29543021 eMolecules
The data in this table is sourced from UniChem at EBI.