Common Name
LM ID
Instrument
Adduct / Ion
Submitter
(+/-)17-F2t-dihomo-IsoP
Thermo Fisher Orbitrap ID-X Tribrid
[M-H]-
Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand
[{"mz":59.0138,"intensity":20000},{"mz":83.0502,"intensity":25000},{"mz":193.1598,"intensity":26000},{"mz":209.1548,"intensity":46000},{"mz":219.139,"intensity":29000},{"mz":221.1547,"intensity":44000},{"mz":221.191,"intensity":24000},{"mz":237.1496,"intensity":68000},{"mz":245.1547,"intensity":34000},{"mz":263.1651,"intensity":37000},{"mz":275.238,"intensity":22000},{"mz":291.233,"intensity":51000},{"mz":301.2171,"intensity":32000},{"mz":319.2278,"intensity":96000},{"mz":327.2328,"intensity":46000},{"mz":337.2384,"intensity":130000},{"mz":345.2433,"intensity":34000},{"mz":363.254,"intensity":33000},{"mz":381.2645,"intensity":1200000}]
Structure
Common name
(+/-)17-F2t-dihomo-IsoP
LMID
Systematic name
1a,1b-dihomo-11S,13R,17-trihydroxy-7Z,15E-prostadienoic acid-cyclo[10S,14R]
m/z
381.2647
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
Kinetex C18 (100 × 2.1 mm, 1.7 µm)
Mobile phase A
H2O (0.1% HCOOH)
Mobile phase B
CH3CN (0.1% HCOOH) binary gradient at 0.5 m L/min
Retention time (min)
5.69
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
(+/-)17-F2t-dihomo-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":216.967,"intensity":751880},{"mz":232.8875,"intensity":20625},{"mz":237.0857,"intensity":60000},{"mz":244.8984,"intensity":83750},{"mz":245.3615,"intensity":12500},{"mz":256.8242,"intensity":46250},{"mz":263.074,"intensity":144380},{"mz":276.8222,"intensity":44375},{"mz":281.1101,"intensity":82500},{"mz":283.3062,"intensity":12500},{"mz":291.1048,"intensity":43125},{"mz":299.2,"intensity":18750},{"mz":301.339,"intensity":127500},{"mz":317.0354,"intensity":46250},{"mz":319.1777,"intensity":525000},{"mz":327.197,"intensity":475000},{"mz":337.1662,"intensity":1500000},{"mz":345.1635,"intensity":425000},{"mz":363.1716,"intensity":538750},{"mz":381.2337,"intensity":5803800}]
Structure
Common name
(+/-)17-F2t-dihomo-IsoP
LMID
Systematic name
1a,1b-dihomo-11S,13R,17-trihydroxy-7Z,15E-prostadienoic acid-cyclo[10S,14R]
m/z
381.3
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)
10.22
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
(+/-)17-F2t-dihomo-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
[{"mz":58.5,"intensity":1388.8889},{"mz":58.8,"intensity":1111.1111},{"mz":59.2,"intensity":2222.2222},{"mz":111.2,"intensity":1111.1111},{"mz":119,"intensity":2222.2222},{"mz":119.2,"intensity":2500},{"mz":134.5,"intensity":1111.1111},{"mz":136.6,"intensity":6944.4444},{"mz":140.7,"intensity":10833},{"mz":140.9,"intensity":3333.3333},{"mz":152.65,"intensity":1111.1111},{"mz":163.5,"intensity":5277.7778},{"mz":167.3,"intensity":2222.2222},{"mz":179,"intensity":3333.3333},{"mz":179.2,"intensity":2222.2222},{"mz":180.8,"intensity":1388.8889},{"mz":185,"intensity":3333.3333},{"mz":185.2,"intensity":3333.3333},{"mz":188.8,"intensity":4166.6667},{"mz":191,"intensity":1388.8889},{"mz":192.7,"intensity":4166.6667},{"mz":193,"intensity":5000},{"mz":195.2,"intensity":6666.6667},{"mz":198.4,"intensity":4444.4444},{"mz":198.9333,"intensity":3333.3333},{"mz":200.8,"intensity":11667},{"mz":201.4,"intensity":3888.8889},{"mz":201.8,"intensity":1111.1111},{"mz":206.6,"intensity":4444.4444},{"mz":206.9,"intensity":2222.2222},{"mz":208.9,"intensity":6666.6667},{"mz":211.1,"intensity":6666.6667},{"mz":212.7,"intensity":1388.8889},{"mz":214.5,"intensity":3333.3333},{"mz":215.1,"intensity":3055.5556},{"mz":216.7,"intensity":28056},{"mz":217.4,"intensity":7500},{"mz":217.9,"intensity":1944.4444},{"mz":218.5625,"intensity":1388.8889},{"mz":218.9,"intensity":5555.5556},{"mz":219.2,"intensity":13611},{"mz":219.475,"intensity":3333.3333},{"mz":220.9375,"intensity":9166.6667},{"mz":221.3,"intensity":3888.8889},{"mz":222.9,"intensity":3888.8889},{"mz":225.3,"intensity":5277.7778},{"mz":229.2,"intensity":2222.2222},{"mz":230.8,"intensity":1388.8889},{"mz":231.1,"intensity":2222.2222},{"mz":231.45,"intensity":2500},{"mz":233.3,"intensity":3611.1111},{"mz":234.8,"intensity":4166.6667},{"mz":235.2,"intensity":2222.2222},{"mz":236.6,"intensity":5000},{"mz":237.1335,"intensity":87500},{"mz":238.7813,"intensity":3611.1111},{"mz":239.1,"intensity":2500},{"mz":245.1734,"intensity":125560},{"mz":247.2,"intensity":2222.2222},{"mz":247.5,"intensity":2222.2222},{"mz":254.8909,"intensity":6944.4444},{"mz":256.8,"intensity":6944.4444},{"mz":257.3694,"intensity":12500},{"mz":258.1,"intensity":2222.2222},{"mz":260.7,"intensity":2777.7778},{"mz":261.3,"intensity":2222.2222},{"mz":263.1391,"intensity":171110},{"mz":264.9,"intensity":3333.3333},{"mz":268.9,"intensity":1111.1111},{"mz":272.9187,"intensity":5833.3333},{"mz":273.2,"intensity":2222.2222},{"mz":274.9235,"intensity":21111},{"mz":275.3,"intensity":5555.5556},{"mz":275.5,"intensity":4444.4444},{"mz":276.5,"intensity":2222.2222},{"mz":277,"intensity":1666.6667},{"mz":277.3,"intensity":3333.3333},{"mz":277.92,"intensity":2222.2222},{"mz":279.1,"intensity":1388.8889},{"mz":280.5,"intensity":3611.1111},{"mz":281.025,"intensity":22222},{"mz":281.2,"intensity":7222.2222},{"mz":281.5188,"intensity":3611.1111},{"mz":282.8,"intensity":5555.5556},{"mz":283.2222,"intensity":31389},{"mz":289.2,"intensity":5833.3333},{"mz":289.5,"intensity":2222.2222},{"mz":291.2449,"intensity":81111},{"mz":293,"intensity":2500},{"mz":294.4,"intensity":3333.3333},{"mz":296.78,"intensity":2500},{"mz":297.1,"intensity":2500},{"mz":298.5,"intensity":3333.3333},{"mz":298.8,"intensity":2777.7778},{"mz":299.2,"intensity":6944.4444},{"mz":299.6,"intensity":3333.3333},{"mz":300.95,"intensity":32222},{"mz":301.3139,"intensity":53889},{"mz":303.2,"intensity":1388.8889},{"mz":307,"intensity":3333.3333},{"mz":309.1,"intensity":21389},{"mz":316.8,"intensity":6111.1111},{"mz":317.3,"intensity":21667},{"mz":319.2412,"intensity":372780},{"mz":320.9,"intensity":5555.5556},{"mz":321.0714,"intensity":2777.7778},{"mz":327.2064,"intensity":203330},{"mz":337.2051,"intensity":671940},{"mz":340.9,"intensity":6666.6667},{"mz":344.7,"intensity":14722},{"mz":345.2161,"intensity":97778},{"mz":363.1789,"intensity":94444},{"mz":381.2303,"intensity":433890}]
Structure
Common name
(+/-)17-F2t-dihomo-IsoP
LMID
Systematic name
1a,1b-dihomo-11S,13R,17-trihydroxy-7Z,15E-prostadienoic acid-cyclo[10S,14R]
m/z
381.3
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)
-20 - -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)
10.22
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