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Endogenous (Vitamin E)
SpectraBase Compound ID JNI4ggQ7hD0
InChI InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
InChIKey GVJHHUAWPYXKBD-IEOSBIPESA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GLwD3TOtqJ
Name Tocopherol
CAS Registry Number 119-13-1
Classification Vitamin
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 430.381080848 u
Formula C29H50O2
InChI InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
InChIKey GVJHHUAWPYXKBD-IEOSBIPESA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 430.717 g/mol
Nominal Mass 430 u
Quality 977
Retention Index 3134
SMILES OC=1C(=C2C(=C(C1C)C)O[C@@](CC2)(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)C
SPLASH splash10-00lr-1810900000-036d80ac9675b0b15aa4
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (2R)-2,5,7,8-tetramethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-3,4-dihydro-2H-chromen-6-ol
Technique GC/MS
Wiley ID DD2024_004369