Dataset

Verruculogen

This MassBank record with Accession MSBNK-AAFC-AC000752 contains the MS2 mass spectrum of Verruculogen with the InChIkey LRXYHMMJJCTUMY-GWXUGYLUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C27H33N3O7/c1-14(2)11-20-29-18-12-15(35-5)8-9-16(18)21-22(29)19(13-26(3,4)37-36-20)30-24(32)17-7-6-10-28(17)25(33)27(30,34)23(21)31/h8-9,11-12,17,19-20,23,31,34H,6-7,10,13H2,1-5H3/t17-,19-,20+,23-,27+/m0/s1
SMILES CC(=C[C@@H]1N2C3=C(C=CC(=C3)OC)C4=C2[C@H](CC(OO1)(C)C)N5C(=O)[C@@H]6CCCN6C(=O)[C@@]5([C@H]4O)O)C
InChI Key LRXYHMMJJCTUMY-GWXUGYLUSA-N
Molecular Formula C27H33N3O7
Exact Mass 511.232 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-AAFC-AC000752
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:22:00.147148
MetadataModified 2024-01-11T09:22:00.360501
MetadataPublished 2017-07-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables