Coenzyme Q2

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Systematic / IUPAC Name: 2-[(2E)-3,7-Dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione

ID: Reference379

Other Names: 2,5-Cyclohexadiene-1,4-dione, 2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-;
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-p-benzoquinone;
2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-p-benzoquinone;
p-Benzoquinone, 2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl, (E)-

Formula: C19H26O4

Class: Endogenous Metabolites

Spectral Data

Coenzyme Q2 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 816
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 1/14/2015 9:18:58 AM
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Identificators

InChI InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+
InChI Key SQQWBSBBCSFQGC-JLHYYAGUSA-N
Canonical SMILES O=C1/C(=C(\C(=O)C(\OC)=C1\OC)C)C\C=C(/C)CC\C=C(/C)C
CAS 606064
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Other Names 2,5-Cyclohexadiene-1,4-dione, 2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-;
(E)-2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-p-benzoquinone;
2-(3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-p-benzoquinone;
p-Benzoquinone, 2-(3,7-dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl, (E)-

In Other Databases

ChEBI CHEBI:46372
ChemSpider 4444053
PubChem 5280346
HMDb HMDB06709
KEGG C00399
ChemIDPlus 007704043; 000606064