Dataset

CL 14_1_14_1_14_1_15_1

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N101527_B8BB contains the MS2 mass spectrum of CL 14_1_14_1_14_1_15_1 with the InChIkey OIEUMLIZWTVHPY-VDZALVTCSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C66H120O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-66(71)83-62(57-77-64(69)51-47-43-39-35-31-27-23-19-15-11-7-3)59-81-85(74,75)79-55-60(67)54-78-84(72,73)80-58-61(82-65(70)52-48-44-40-36-32-28-24-20-16-12-8-4)56-76-63(68)50-46-42-38-34-30-26-22-18-14-10-6-2/h17-24,60-62,67H,5-16,25-59H2,1-4H3,(H,72,73)(H,74,75)/b21-17-,22-18-,23-19-,24-20-/t60?,61-,62-/m1/s1
SMILES P(OC[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)(OCC(O)([H])COP(OC[C@]([H])(OC(CCCCCCCC/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(O)=O)=O
InChI Key OIEUMLIZWTVHPY-VDZALVTCSA-N
Molecular Formula C66H120O17P2
Exact Mass 1246.800 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N101527_B8BB
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:34:52.664245
MetadataModified 2025-02-08T18:46:35.006120
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
24779566 PubChem
LMGP12010003 LipidMaps
J3.122.806I Nikkaji
The data in this table is sourced from UniChem at EBI.