Dataset

Scaposin

This MassBank record with Accession MSBNK-BS-BS003675 contains the MS2 mass spectrum of Scaposin with the InChIkey NYKXAPFHNLNAIJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H18O9/c1-24-12-6-8(5-10(21)16(12)25-2)11-7-9(20)13-14(22)18(26-3)15(23)19(27-4)17(13)28-11/h5-7,21-23H,1-4H3
SMILES O=C1C=2C(OC(=C1[H])C=3C(=C(O[H])C(OC([H])([H])[H])=C(OC([H])([H])[H])C3[H])[H])=C(OC([H])([H])[H])C(O[H])=C(OC([H])([H])[H])C2O[H]
InChI Key NYKXAPFHNLNAIJ-UHFFFAOYSA-N
Molecular Formula C19H18O9
Exact Mass 390.095 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-BS-BS003675
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:33:50.720099
MetadataModified 2024-01-11T12:33:50.874163
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
633124 PubChem
ZINC000015271825 ZINC
J14.243C Nikkaji
LMPK12111488 LipidMaps
196371 ChEBI
The data in this table is sourced from UniChem at EBI.