Dataset

Pseudojervine

This MassBank record with Accession MSBNK-RIKEN-PR300949 contains the MS2 mass spectrum of Pseudojervine with the InChIkey HYDDDNUKNMMWBD-WJWSUNTISA-N.

Chemical Info

molecular Image
InChI InChI=1S/C33H49NO8/c1-15-11-22-26(34-13-15)17(3)33(42-22)10-8-20-21-6-5-18-12-19(40-31-30(39)29(38)27(36)23(14-35)41-31)7-9-32(18,4)25(21)28(37)24(20)16(33)2/h5,15,17,19-23,25-27,29-31,34-36,38-39H,6-14H2,1-4H3/t15?,17?,19-,20?,21?,22+,23?,25?,26-,27+,29?,30?,31+,32?,33-/m0/s1
SMILES CC1[C@@H]2NCC(C)C[C@H]2O[C@]11CCC2C3CC=C4C[C@H](CCC4(C)C3C(=O)C2=C1C)O[C@@H]1OC(CO)[C@@H](O)C(O)C1O
InChI Key HYDDDNUKNMMWBD-WJWSUNTISA-N
Molecular Formula C33H49NO8
Exact Mass 587.754 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-PR300949
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:40:08.160056
MetadataModified 2024-01-11T20:40:08.320281
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
37361 PubChem
36069-05-3 ACToR
70116039 NMRShiftDB
The data in this table is sourced from UniChem at EBI.