Dataset

Haploperozide

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01559 contains the MS2 mass spectrum of Haploperozide with the InChIkey LLQBCHODNVGKSF-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C28H38O17/c1-9-17(30)20(33)23(36)26(40-9)39-8-15-19(32)22(35)25(45-27-24(37)21(34)18(31)10(2)41-27)28(44-15)43-14-7-12-11(6-13(14)38-3)4-5-16(29)42-12/h4-7,9-10,15,17-28,30-37H,8H2,1-3H3
SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)OC)OC5C(C(C(C(O5)C)O)O)O)O)O)O)O)O
InChI Key LLQBCHODNVGKSF-UHFFFAOYSA-N
Molecular Formula C28H38O17
Exact Mass 646.211 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01559
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:24:02.075216
MetadataModified 2024-01-11T22:24:02.265349
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10116876 eMolecules
MCULE-2524214435 Mcule
20105835 PubChem
80010761 NMRShiftDB
The data in this table is sourced from UniChem at EBI.