Dataset

trans-pterostilbene; LC-ESI-QTOF; MS2

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

Chemical Information

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
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Maintainer
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MetadataPublished 2019-03-28
Related Molecule
  • 4-[2-(3,5-dimethoxyphenyl)ethenyl]phenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    LSM-45906 LINCS
    CHEMBL4303505 ChEMBL
    OWAVUE CCDC
    HMDB0246323 Human Metabolome Database
    MCULE-6197289487 Mcule
    160517 PubChem
    SCHEMBL563218 SureChEMBL
    PD056309 ProbesDrugs
    The data in this table is sourced from UniChem at EBI.