6β-Prostaglandin I1

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Systematic / IUPAC Name: (6S,9α,11α,13E,15S)-11,15-Dihydroxy-6,9-epoxyprost-13-en-1-oic acid

ID: Reference9816

Other Names: 5,6β-Dihydro PGI2;
6β-PGI1

Formula: C20H34O5

Class: Endogenous Metabolites

Spectral Data

6β-Prostaglandin I1 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 Fusion with FAIMS
No. of Spectral Trees 1
No. of Spectra 2265
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 7/2/2020 12:49:37 PM
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Identificators

InChI InChI=1S/C20H34O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h10-11,14-19,21-22H,2-9,12-13H2,1H3,(H,23,24)/b11-10+/t14-,15-,16+,17+,18+,19-/m0/s1
InChI Key RJADQDXZYFCVHV-CBIPHORWSA-N
Canonical SMILES CCCCCC(C=CC1C2CC(OC2CC1O)CCCCC(=O)O)O
CAS 62770507
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Other Names 5,6β-Dihydro PGI2;
6β-PGI1

In Other Databases

ChemSpider 29341922
PubChem 91746207