Dataset

NP-000004(11); LC-ESI-QTOF; MS2

This MassBank record with Accession MSBNK-RIKEN-PR307043 contains the MS2 mass spectrum of NP-000004(11) with the InChIkey TUIJPUWSXVFWSH-UHFFFAOYSA-N.

Chemical Information

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

NP-000004(11)HTML

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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-PR307043
Version
Author
Maintainer
Language
MetadataPublished	2019-03-28
Related Molecule

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.