Dataset

NP-000004(11)

This MassBank record with Accession MSBNK-RIKEN-PR303320 contains the MS2 mass spectrum of NP-000004(11) with the InChIkey TUIJPUWSXVFWSH-FBMRRHFKSA-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/t12-,13+,17-,18+,21+,22-,23-,25?,26?/m1/s1
SMILES OC[C@@H]1OC([C@H](O)[C@H]1O)C1=C2OC(=CC(=O)C2=C(O)C(C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1O)C1=CC=C(O)C=C1
InChI Key TUIJPUWSXVFWSH-FBMRRHFKSA-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-PR303320
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:55.286135
MetadataModified 2024-01-11T20:43:55.461904
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70092826 NMRShiftDB
HMDB0029260 Human Metabolome Database
176363 ChEBI
131750832 PubChem
The data in this table is sourced from UniChem at EBI.