Dataset

D-lactosyl-beta-1,1 N-octanoyl-D-erythro-sphingosine

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N102112_A098 contains the MS2 mass spectrum of D-lactosyl-beta-1,1 N-octanoyl-D-erythro-sphingosine with the InChIkey JUCWRRXMPGRQOG-BHOUECFLSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C38H71NO13/c1-3-5-7-9-10-11-12-13-14-15-16-18-19-21-27(42)26(39-30(43)22-20-17-8-6-4-2)25-49-37-35(48)33(46)36(29(24-41)51-37)52-38-34(47)32(45)31(44)28(23-40)50-38/h19,21,26-29,31-38,40-42,44-48H,3-18,20,22-25H2,1-2H3,(H,39,43)/b21-19+/t26-,27+,28+,29+,31-,32?,33?,34?,35?,36+,37+,38-/m0/s1
SMILES CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1C(C([C@@H]([C@H](O1)CO)O[C@H]2C(C([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCC)O
InChI Key JUCWRRXMPGRQOG-BHOUECFLSA-N
Molecular Formula C38H71NO13
Exact Mass 749.492 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N102112_A098
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:24.873089
MetadataModified 2024-01-11T09:29:25.026953
MetadataPublished 2022-04-08
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
136212682 PubChem
The data in this table is sourced from UniChem at EBI.