Dataset

trans-piceid

This MassBank record with Accession MSBNK-RIKEN-PR308288 contains the MS2 mass spectrum of trans-piceid with the InChIkey HSTZMXCBWJGKHG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2
SMILES OCC1OC(OC2=CC(C=CC3=CC=C(O)C=C3)=CC(O)=C2)C(O)C(O)C1O
InChI Key HSTZMXCBWJGKHG-UHFFFAOYSA-N
Molecular Formula C20H22O8
Exact Mass 390.388 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-RIKEN-PR308288
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:00.708929
MetadataModified 2024-01-11T20:43:00.877295
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4775677 eMolecules
19045013 eMolecules
393787 PubChem
PD056344 ProbesDrugs
182492 ChEBI
MCULE-6371207645 Mcule
HMDB0242527 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.