Dataset

Germinaline

This MassBank record with Accession MSBNK-RIKEN-PR305059 contains the MS2 mass spectrum of Germinaline with the InChIkey CPINTEKYWNYXNP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C39H61NO13/c1-9-19(3)32(44)52-31-29(43)28-22(17-40-16-18(2)10-11-26(40)36(28,8)47)23-15-37-30(38(23,31)48)24(42)14-25-34(37,6)13-12-27(39(25,49)53-37)51-33(45)35(7,46)20(4)50-21(5)41/h18-20,22-31,42-43,46-49H,9-17H2,1-8H3
SMILES CCC(C)C(=O)OC1C(O)C2C(CN3CC(C)CCC3C2(C)O)C2CC34OC5(O)C(CC(O)C3C12O)C4(C)CCC5OC(=O)C(C)(O)C(C)OC(C)=O
InChI Key CPINTEKYWNYXNP-UHFFFAOYSA-N
Molecular Formula C39H61NO13
Exact Mass 751.911 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-PR305059
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:34.811043
MetadataModified 2024-01-11T20:39:34.983474
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
70023272 NMRShiftDB
3403655 PubChem
The data in this table is sourced from UniChem at EBI.