Dataset

Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS076806 contains the MS2 mass spectrum of Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate with the InChIkey ZAKOWWREFLAJOT-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3
SMILES CC1=C2C(=C(C(=C1C)OC(=O)C)C)CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C
InChI Key ZAKOWWREFLAJOT-UHFFFAOYSA-N
Molecular Formula C31H52O3
Exact Mass 472.754 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS076806
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:07:33.972770
MetadataModified 2024-01-11T21:07:34.147249
MetadataPublished 2009-02-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL247481 ChEMBL
495982 eMolecules
2117 PubChem
12741-00-3 ACToR
58-95-7 ACToR
7695-91-2 ACToR
182695 ChEBI
DB14477 DrugBank
PD001953 ProbesDrugs
15931472 PubChem: Thomson Pharma
J24.809F Nikkaji
SCHEMBL1007153 SureChEMBL
DL-ALPHA TOCOPHERYL ACETATE rxnorm
MCULE-8838142737 Mcule
WR1WPI7EW8 FDA SRS
DTXSID20859032 EPA CompTox Dashboard
HMDB0034227 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.