Dataset

trans-pterostilbene

This MassBank record with Accession MSBNK-RIKEN-PR308324 contains the MS2 mass spectrum of trans-pterostilbene with the InChIkey VLEUZFDZJKSGMX-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3
SMILES COC1=CC(C=CC2=CC=C(O)C=C2)=CC(OC)=C1
InChI Key VLEUZFDZJKSGMX-UHFFFAOYSA-N
Molecular Formula C16H16O3
Exact Mass 256.301 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-PR308324
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:19.039265
MetadataModified 2024-01-11T20:43:19.194758
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
160517 PubChem
CHEMBL4303505 ChEMBL
HMDB0246323 Human Metabolome Database
OWAVUE CCDC
LSM-45906 LINCS
MCULE-6197289487 Mcule
SCHEMBL563218 SureChEMBL
PD056309 ProbesDrugs
The data in this table is sourced from UniChem at EBI.