Dataset

Haploperoside C

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01534 contains the MS2 mass spectrum of Haploperoside C with the InChIkey FCIZPHNZRNLUJD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H28O13/c1-8-15(24)17(26)19(28)21(32-8)31-7-13-16(25)18(27)20(29)22(35-13)34-12-6-10-9(5-11(12)30-2)3-4-14(23)33-10/h3-6,8,13,15-22,24-29H,7H2,1-2H3
SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C4C=CC(=O)OC4=C3)OC)O)O)O)O)O)O
InChI Key FCIZPHNZRNLUJD-UHFFFAOYSA-N
Molecular Formula C22H28O13
Exact Mass 500.153 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-BML01534
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:49.810831
MetadataModified 2024-01-11T22:26:50.011459
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10117420 eMolecules
MCULE-3860902347 Mcule
DTXSID40602542 EPA CompTox Dashboard
20106091 PubChem
80010760 NMRShiftDB
The data in this table is sourced from UniChem at EBI.