Dataset

Isotalatizidine

This MassBank record with Accession MSBNK-RIKEN-PR310636 contains the MS2 mass spectrum of Isotalatizidine with the InChIkey RBSZCNOWHDHRFZ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3
SMILES CCN1CC2(COC)CCC(O)C34C5CC6C(O)C5C(O)(CC6OC)C(CC23)C14
InChI Key RBSZCNOWHDHRFZ-UHFFFAOYSA-N
Molecular Formula C23H37NO5
Exact Mass 407.551 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-PR310636
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:35.089579
MetadataModified 2024-01-11T20:40:35.330971
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
IKOTIN CCDC
60043852 NMRShiftDB
4586441 PubChem
181706 ChEBI
The data in this table is sourced from UniChem at EBI.