Dataset

Rhein; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

This MassBank record with Accession MSBNK-Keio_Univ-KO001773 contains the MS2 mass spectrum of Rhein with the InChIkey FCDLCPWAQCPTKC-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
SMILES OC(=O)c(c3)cc(c(=O)1)c(c(O)3)c(=O)c(c(O)2)c(ccc2)1
InChI Key FCDLCPWAQCPTKC-UHFFFAOYSA-N
Molecular Formula C15H8O6
Exact Mass 284.032 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-Keio_Univ-KO001773
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.