Common Name
LM ID
Instrument
Adduct / Ion
Submitter
8-epi-8-F3t-IsoP
Thermo Scientific Q Exactive Focus Orbitrap LC-MS/MS System
[M-H]-
Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand
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Structure
Common name
8-epi-8-F3t-IsoP
LMID
Systematic name
8R,12S,14R-trihydroxy-5Z,9E,17Z-prostatrienoic acid-cyclo[11S,15R]
m/z
351.2177
Adduct / Ion
[M-H]-
Charge
-1
Ion source
ESI
Instrument
Thermo Scientific Q Exactive Focus Orbitrap LC-MS/MS System
Resolution
17000
For high resolution data only
Ion mode
Negative
Collision Energy (CE)
30eV
Column
Kinetex EVO C18 (100 × 2.1 mm column 1.7 µm)
Mobile phase A
0.3 mL/min binary gradient using H2O (0.1% HCOOH)
Mobile phase B
CH3CN:CH3OH 8:2, (0.1% HCOOH)
Retention time (min)
9.07
Amount injected
5μl
DOI for method
Date acquired
October 2023
Submitters
Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand
Source of standard
Synthesized in-house
8-epi-8-F3t-IsoP
Thermo Fisher Orbitrap ID-X Tribrid
[M-H]-
Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand
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Structure
Common name
8-epi-8-F3t-IsoP
LMID
Systematic name
8R,12S,14R-trihydroxy-5Z,9E,17Z-prostatrienoic acid-cyclo[11S,15R]
m/z
351.2178
Adduct / Ion
[M-H]-
Charge
-1
Ion source
ESI
Instrument
Thermo Fisher Orbitrap ID-X Tribrid
Resolution
60000
For high resolution data only
Ion mode
Negative
Collision Energy (CE)
stepped HCD collision energy 20–40–60%
Column
N/A
Mobile phase A
N/A
Mobile phase B
N/A
Retention time (min)
N/A
Amount injected
10 µL
DOI for method
Date acquired
October 2023
Submitters
Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand
Source of standard
Synthesized in-house
8-epi-8-F3t-IsoP
Sciex 5500, QqQ
[M-H]-
N.Kampschulte, M.A.Chromik, R.Kirchhoff, A.Löwen, K.Mosel, K.Plitzko, L.Scholz, L.Wende, M.Wiebel, N.H.Schebb
[{"mz":112.9773,"intensity":8800},{"mz":126.9657,"intensity":30800},{"mz":127.3,"intensity":7200},{"mz":154.9639,"intensity":66000},{"mz":176.8805,"intensity":34400},{"mz":179.0609,"intensity":36000},{"mz":208.8988,"intensity":476800},{"mz":217.002,"intensity":29600},{"mz":226.9083,"intensity":134400},{"mz":246.9155,"intensity":104000},{"mz":248.8,"intensity":18000},{"mz":249.1,"intensity":31600},{"mz":252.9887,"intensity":42400},{"mz":261.0868,"intensity":29600},{"mz":266.9085,"intensity":74800},{"mz":268.8722,"intensity":226000},{"mz":271.0781,"intensity":96400},{"mz":286.7,"intensity":12800},{"mz":287.0708,"intensity":43600},{"mz":289.1114,"intensity":141600},{"mz":290.8271,"intensity":88000},{"mz":297.1567,"intensity":192400},{"mz":307.1129,"intensity":321600},{"mz":309.0273,"intensity":15200},{"mz":311.031,"intensity":37600},{"mz":315.1292,"intensity":301600},{"mz":330.8645,"intensity":41600},{"mz":333.1343,"intensity":758000},{"mz":351.1423,"intensity":3807600}]
Structure
Common name
8-epi-8-F3t-IsoP
LMID
Systematic name
8R,12S,14R-trihydroxy-5Z,9E,17Z-prostatrienoic acid-cyclo[11S,15R]
m/z
351.2
Adduct / Ion
[M-H]-
Charge
-1
Ion source
ESI
Instrument
Sciex 5500, QqQ
Resolution
N/A
For high resolution data only
Ion mode
Negative
Collision Energy (CE)
-15 - -25
Column
Zorbax Eclipse Plus C18 reversed phase column (2.1 x 150 mm, particle size 1.8 mm; Agilent, Waldbronn, Germany)
Mobile phase A
95/5 (v/v) 0.1% acetic acid (aq)/Eluent B
Mobile phase B
800/150/1 (v/v/v) acetonitrile/methanol/acetic acid
Retention time (min)
6.98
Amount injected
~ 0.3 ng
DOI for method
Date acquired
April 2025
Submitters
N.Kampschulte, M.A.Chromik, R.Kirchhoff, A.Löwen, K.Mosel, K.Plitzko, L.Scholz, L.Wende, M.Wiebel, N.H.Schebb
Source of standard
chemical synthesis by T. Durand and Coworkers
8-epi-8-F3t-IsoP
Sciex 6500+/QTrap
[M-H]-
N.Kampschulte, M.A.Chromik, R.Kirchhoff, A.Löwen, K.Mosel, K.Plitzko, L.Scholz, L.Wende, M.Wiebel, N.H.Schebb
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Structure
Common name
8-epi-8-F3t-IsoP
LMID
Systematic name
8R,12S,14R-trihydroxy-5Z,9E,17Z-prostatrienoic acid-cyclo[11S,15R]
m/z
351.2
Adduct / Ion
[M-H]-
Charge
-1
Ion source
ESI
Instrument
Sciex 6500+/QTrap
Resolution
N/A
For high resolution data only
Ion mode
Negative
Collision Energy (CE)
-15 - -25
Column
Zorbax Eclipse Plus C18 reversed phase column (2.1 x 150 mm, particle size 1.8 mm; Agilent, Waldbronn, Germany)
Mobile phase A
95/5 (v/v) 0.1% acetic acid (aq)/Eluent B
Mobile phase B
800/150/1 (v/v/v) acetonitrile/methanol/acetic acid
Retention time (min)
6.98
Amount injected
~ 0.3 ng
DOI for method
Date acquired
March 2025
Submitters
N.Kampschulte, M.A.Chromik, R.Kirchhoff, A.Löwen, K.Mosel, K.Plitzko, L.Scholz, L.Wende, M.Wiebel, N.H.Schebb
Source of standard
chemical synthesis by T. Durand and Coworkers
8-epi-8-F3t-IsoP
Thermo QExactive HF
[M-H]-
N.Kampschulte, M.A.Chromik, R.Kirchhoff, A.Löwen, K.Mosel, K.Plitzko, L.Scholz, L.Wende, M.Wiebel, N.H.Schebb
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Structure
Common name
8-epi-8-F3t-IsoP
LMID
Systematic name
8R,12S,14R-trihydroxy-5Z,9E,17Z-prostatrienoic acid-cyclo[11S,15R]
m/z
351.2
Adduct / Ion
[M-H]-
Charge
-1
Ion source
HESI
Instrument
Thermo QExactive HF
Resolution
Not Available
For high resolution data only
Ion mode
Negative
Collision Energy (CE)
30
Column
Zorbax Eclipse Plus C18 reversed phase column (2.1 x 150 mm, particle size 1.8 mm; Agilent, Waldbronn, Germany)
Mobile phase A
95/5 (v/v) 0.1% acetic acid (aq)/Eluent B
Mobile phase B
800/150/1 (v/v/v) acetonitrile/methanol/acetic acid
Retention time (min)
6.98
Amount injected
~ 0.3 ng
DOI for method
Date acquired
February 2025
Submitters
N.Kampschulte, M.A.Chromik, R.Kirchhoff, A.Löwen, K.Mosel, K.Plitzko, L.Scholz, L.Wende, M.Wiebel, N.H.Schebb
Source of standard
chemical synthesis by T. Durand and Coworkers