Dataset

Tocopherol acid succinate

This MassBank record with Accession MSBNK-Washington_State_Univ-BML82267 contains the MS mass spectrum of Tocopherol acid succinate with the InChIkey IELOKBJPULMYRW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C33H54O5/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-20-33(8)21-19-28-27(7)31(25(5)26(6)32(28)38-33)37-30(36)18-17-29(34)35/h22-24H,9-21H2,1-8H3,(H,34,35)
SMILES CC1=C2C(=C(C(=C1C)OC(=O)CCC(=O)O)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C
InChI Key IELOKBJPULMYRW-UHFFFAOYSA-N
Molecular Formula C33H54O5
Exact Mass 530.397 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML82267
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:23:52.958590
MetadataModified 2024-01-11T22:23:53.134457
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0033685 Human Metabolome Database
SCHEMBL2162349 SureChEMBL
CHEMBL3561966 ChEMBL
J24.825H Nikkaji
MCULE-8345811112 Mcule
4345-03-3 ACToR
PD075083 ProbesDrugs
14861011 PubChem: Thomson Pharma
425400 PubChem
The data in this table is sourced from UniChem at EBI.