Dataset

PTEROCARPIN; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003132 contains the MS mass spectrum of PTEROCARPIN with the InChIkey YLZYAUCOYZKLMA-SJCJKPOMSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H14O5/c1-18-9-2-3-10-13(4-9)19-7-12-11-5-15-16(21-8-20-15)6-14(11)22-17(10)12/h2-6,12,17H,7-8H2,1H3/t12-,17-/m0/s1
SMILES COc(c5)cc(O4)c(c5)C([H])(O1)C([H])(C4)c(c2)c(cc(O3)c(OC3)2)1
InChI Key YLZYAUCOYZKLMA-SJCJKPOMSA-N
Molecular Formula C17H14O5
Exact Mass 298.084 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-Fac_Eng_Univ_Tokyo-JP003132
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL242128 chembl
    1248055 surechembl
    29361907 surechembl
    1715306 pubchem
    NZ7T2XO0S1 fdasrs
    TOLBEC CCDC
    38715 brenda
    Molport-003-804-045 molport
    The data in this table is sourced from UniChem at EBI.