LIPID MAPS

9-L1-PhytoP

LMFA02030005

Thermo Scientific Q Exactive Focus Orbitrap LC-MS/MS System

[M-H]-

Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand

Structure

Common name

9-L1-PhytoP

LMID

LMFA02030005

Systematic name

11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9S-hydroxyundec-10E-enoic acid

m/z

307.1915

Adduct / Ion

[M-H]-

Charge

-1

Ion source

ESI

Instrument

Thermo Scientific Q Exactive Focus Orbitrap LC-MS/MS System

Resolution

17000

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)

11.02

Amount injected

5μl

DOI for method

10.1038/s41597-024-03034-4

Date acquired

October 2023

Submitters

Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand

Source of standard

Cayman

9-L1-PhytoP

LMFA02030005

Thermo Fisher Orbitrap ID-X Tribrid

[M-H]-

Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand

Structure

Common name

9-L1-PhytoP

LMID

LMFA02030005

Systematic name

11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9S-hydroxyundec-10E-enoic acid

m/z

307.1915

Adduct / Ion

[M-H]-

Charge

-1

Ion source

ESI

Instrument

Thermo Fisher Orbitrap ID-X Tribrid

Resolution

60000

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

10.1038/s41597-024-03034-4

Date acquired

October 2023

Submitters

Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand

Source of standard

Synthesized in-house

9-L1-PhytoP

LMFA02030005

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

Structure

Common name

9-L1-PhytoP

LMID

LMFA02030005

Systematic name

11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9S-hydroxyundec-10E-enoic acid

m/z

307.2

Adduct / Ion

[M-H]-

Charge

-1

Ion source

ESI

Instrument

Sciex 5500, QqQ

Resolution

N/A

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)

8.82

Amount injected

~ 0.3 ng

DOI for method

10.1016/j.aca.2017.11.002

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

9-L1-PhytoP

LMFA02030005

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

Structure

Common name

9-L1-PhytoP

LMID

LMFA02030005

Systematic name

11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9S-hydroxyundec-10E-enoic acid

m/z

307.2

Adduct / Ion

[M-H]-

Charge

-1

Ion source

ESI

Instrument

Sciex 6500+/QTrap

Resolution

N/A

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)

8.82

Amount injected

~ 0.3 ng

DOI for method

10.1016/j.aca.2017.11.002

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

9-L1-PhytoP

LMFA02030005

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

Structure

Common name

9-L1-PhytoP

LMID

LMFA02030005

Systematic name

11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9S-hydroxyundec-10E-enoic acid

m/z

307.2

Adduct / Ion

[M-H]-

Charge

-1

Ion source

HESI

Instrument

Thermo QExactive HF

Resolution

Not Available

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)

8.82

Amount injected

~ 0.3 ng

DOI for method

10.1016/j.aca.2017.11.002

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

9-L1-PhytoP

LMFA02030005

Waters Xevo TQ-XS Triple Quadrupole

[M-H]-

Wheelock/Hagn

Structure

Common name

9-L1-PhytoP

LMID

LMFA02030005

Systematic name

11-(2-ethyl-3-oxocyclopent-1-en-1-yl)-9S-hydroxyundec-10E-enoic acid

m/z

307.2

Adduct / Ion

[M-H]-

Charge

-1

Ion source

ESI

Instrument

Waters Xevo TQ-XS Triple Quadrupole

Resolution

N/A

Ion mode

Negative

Collision Energy (CE)

18

Column

Waters Acquity Premier BEH C18 with VanGuard FIT, 130 Å, 1.7 µm, 2.1 x 100 mm

Mobile phase A

Milli-Q H2O + 0.1 % (v/v) acetic acid

Mobile phase B

ACN:IPA (90:10)

Retention time (min)

2.23

Amount injected

0.25 ng

DOI for method

10.1021/acs.analchem.8b01651

Date acquired

March 2025

Submitters

Wheelock/Hagn

Source of standard

Université de Montpellier (Durand/Galano/Oger)