13,14-Dihydro-15-keto Prostaglandin J2

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Systematic / IUPAC Name: (5Z)-11,15-Dioxoprosta-5,9-dien-1-oic acid

ID: Reference4603

Other Names: Prosta-5,9-dien-1-oic acid, 11,15-dioxo-, (5Z)-;
13,14-Dihydro-15-keto PGJ2

Formula: C20H30O4

Class: Endogenous Metabolites

Spectral Data

13,14-Dihydro-15-keto Prostaglandin J2 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 1
No. of Spectra 4265
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/22/2016 7:21:01 AM
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Identificators

InChI InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,15-16,18H,2-3,5-6,8-11,13-14H2,1H3,(H,23,24)/b7-4-/t16-,18+/m0/s1
InChI Key GCYWVCQBMLYQGZ-BFVRRIQPSA-N
Canonical SMILES CCCCCC(=O)CCC1C(C=CC1=O)CC=CCCCC(=O)O
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Other Names Prosta-5,9-dien-1-oic acid, 11,15-dioxo-, (5Z)-;
13,14-Dihydro-15-keto PGJ2

In Other Databases

ChemSpider 29341657
PubChem 91885983