Dataset

Procyanidin B2; LC-ESI-QTOF; MS2; CE:40 eV; [M-H]-

This MassBank record with Accession MSBNK-BS-BS003942 contains the MS2 mass spectrum of Procyanidin B2 with the InChIkey XFZJEEAOWLFHDH-NFJBMHMQSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28-,29-/m1/s1
SMILES C1[C@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
InChI Key XFZJEEAOWLFHDH-NFJBMHMQSA-N
Molecular Formula C30H26O12
Exact Mass 578.142 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-BS003942
Version
Author
Maintainer
Language
MetadataPublished 2017-12-01
Related Molecule
  • (2R,3R)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:75632 chebi
    LMPK12030002 lipidmaps
    CHEMBL38714 chembl
    288579 surechembl
    29372338 surechembl
    29394923 surechembl
    29832872 surechembl
    31172105 surechembl
    122738 pubchem
    L88HKE854X fdasrs
    PD044184 probes_and_drugs
    143967 brenda
    25110 brenda
    HMDB0033973 hmdb
    Molport-003-932-480 molport
    50553253 bindingdb
    The data in this table is sourced from UniChem at EBI.