Dataset

Syrosingopine

This MassBank record with Accession MSBNK-RIKEN-PR305176 contains the MS2 mass spectrum of Syrosingopine with the InChIkey ZCDNRPPFBQDQHR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C35H42N2O11/c1-7-46-35(40)48-31-26(42-3)12-18(13-27(31)43-4)33(38)47-28-14-19-17-37-11-10-22-21-9-8-20(41-2)15-24(21)36-30(22)25(37)16-23(19)29(32(28)44-5)34(39)45-6/h8-9,12-13,15,19,23,25,28-29,32,36H,7,10-11,14,16-17H2,1-6H3
SMILES CCOC(=O)OC1=C(OC)C=C(C=C1OC)C(=O)OC1CC2CN3CCC4=C(NC5=C4C=CC(OC)=C5)C3CC2C(C1OC)C(=O)OC
InChI Key ZCDNRPPFBQDQHR-UHFFFAOYSA-N
Molecular Formula C35H42N2O11
Exact Mass 666.724 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-PR305176
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T20:39:36.751593
MetadataModified 2024-01-11T20:39:36.925195
MetadataPublished 2019-03-28
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL4758426 ChEMBL
PD075135 ProbesDrugs
LSM-6398 LINCS
MTBLC95130 Metabolights
95130 ChEBI
HMDB0258655 Human Metabolome Database
J23.903H Nikkaji
SCHEMBL219706 SureChEMBL
5367 PubChem
The data in this table is sourced from UniChem at EBI.