Dataset

Dehydrophytosphingosine (not validated, isomer of 1679)

This MassBank record with Accession MSBNK-RIKEN-PR310830 contains the MS2 mass spectrum of Dehydrophytosphingosine (not validated, isomer of 1679) with the InChIkey CQKNELOTFUSOTP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3
SMILES OCC(N)C(O)C(O)CCCC=CCCCCCCCCC
InChI Key CQKNELOTFUSOTP-UHFFFAOYSA-N
Molecular Formula C18H37NO3
Exact Mass 315.498 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-PR310830
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T19:59:45.578240
MetadataModified 2025-02-09T18:23:38.820173
MetadataPublished 2019-03-28
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID40649078 EPA CompTox Dashboard
25203815 PubChem
The data in this table is sourced from UniChem at EBI.