Dataset

NP-000004(11)

This MassBank record with Accession MSBNK-RIKEN-PR307048 contains the MS2 mass spectrum of NP-000004(11) with the InChIkey TUIJPUWSXVFWSH-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H28O14/c27-6-12-17(31)21(35)23(37)25(39-12)15-19(33)14-10(30)5-11(8-1-3-9(29)4-2-8)38-24(14)16(20(15)34)26-22(36)18(32)13(7-28)40-26/h1-5,12-13,17-18,21-23,25-29,31-37H,6-7H2
SMILES OCC1OC(C(O)C1O)C1=C2OC(=CC(=O)C2=C(O)C(C2OC(CO)C(O)C(O)C2O)=C1O)C1=CC=C(O)C=C1
InChI Key TUIJPUWSXVFWSH-UHFFFAOYSA-N
Molecular Formula C26H28O14
Exact Mass 564.496 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-PR307048
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:27:33.672741
MetadataModified 2025-02-09T18:31:28.312253
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10053626 PubChem
15037180 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.