Dataset

Hetisine

This MassBank record with Accession MSBNK-RIKEN-PR301178 contains the MS2 mass spectrum of Hetisine with the InChIkey PIWJSAMCEMZIDO-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H27NO3/c1-8-3-19-6-10-15-18(2)4-9(22)5-20(15)16(19)14(24)11(8)13(23)12(19)17(20)21(10)7-18/h9-17,22-24H,1,3-7H2,2H3
SMILES CC12CN3C4CC56CC(=C)C7C(O)C5C3C(CC(O)C1)(C24)C6C7O
InChI Key PIWJSAMCEMZIDO-UHFFFAOYSA-N
Molecular Formula C20H27NO3
Exact Mass 329.440 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-PR301178
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:43:16.171905
MetadataModified 2024-01-11T20:43:16.329962
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
10089-23-3 ACToR
70019315 NMRShiftDB
431673 PubChem
The data in this table is sourced from UniChem at EBI.