LIPID MAPS

17,18-DiHETE

LMFA03060078

Thermo Scientific Orbitrap Exploris 240

[M-H]-

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Structure

Common name

17,18-DiHETE

LMID

LMFA03060078

Systematic name

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

m/z

335.2228

Adduct / Ion

[M-H]-

Charge

-1

Ion source

HESI

Instrument

Thermo Scientific Orbitrap Exploris 240

Resolution

30000

Ion mode

Negative

Collision Energy (CE)

17,27,37

Column

Accucore C30 150 x 2.1

Mobile phase A

Acetonitrile:water 50/50 v/v 5mM AmFm + 0.1% FA

Mobile phase B

Isopropanol:Acetonitrile:water 85/10/5 v/v 5mM AmFm + 0.1% FA

Amount injected

50 pmol

DOI for method

Date acquired

March 2025

Submitters

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Source of standard

Cayman

17,18-DiHETE

LMFA03060078

Thermo Scientific Orbitrap Exploris 240

[M-H]-

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Structure

Common name

17,18-DiHETE

LMID

LMFA03060078

Systematic name

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

m/z

335.2228

Adduct / Ion

[M-H]-

Charge

-1

Ion source

HESI

Instrument

Thermo Scientific Orbitrap Exploris 240

Resolution

30000

Ion mode

Negative

Collision Energy (CE)

35,45,55

Column

Accucore C30 150 x 2.1

Mobile phase A

Acetonitrile:water 50/50 v/v 5mM AmFm + 0.1% FA

Mobile phase B

Isopropanol:Acetonitrile:water 85/10/5 v/v 5mM AmFm + 0.1% FA

Retention time (min)

2.62

Amount injected

50 pmol

DOI for method

Date acquired

March 2025

Submitters

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Source of standard

Cayman

17,18-DiHETE

LMFA03060078

Thermo Scientific Orbitrap Exploris 240

[M-H]-

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Structure

Common name

17,18-DiHETE

LMID

LMFA03060078

Systematic name

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

m/z

335.2228

Adduct / Ion

[M-H]-

Charge

-1

Ion source

HESI

Instrument

Thermo Scientific Orbitrap Exploris 240

Resolution

30000

Ion mode

Negative

Collision Energy (CE)

17,27,37

Column

Accucore C30 150 x 2.1

Mobile phase A

Acetonitrile:water 50/50 v/v 5mM AmFm + 0.1% FA

Mobile phase B

Isopropanol:Acetonitrile:water 85/10/5 v/v 5mM AmFm + 0.1% FA

Amount injected

50 pmol

DOI for method

Date acquired

March 2025

Submitters

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Source of standard

Cayman

17,18-DiHETE

LMFA03060078

Thermo Scientific Orbitrap Exploris 240

[M-H]-

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Structure

Common name

17,18-DiHETE

LMID

LMFA03060078

Systematic name

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

m/z

335.2228

Adduct / Ion

[M-H]-

Charge

-1

Ion source

HESI

Instrument

Thermo Scientific Orbitrap Exploris 240

Resolution

30000

Ion mode

Negative

Collision Energy (CE)

25,33,45

Column

Accucore C30 150 x 2.1

Mobile phase A

Acetonitrile:water 50/50 v/v 5mM AmFm + 0.1% FA

Mobile phase B

Isopropanol:Acetonitrile:water 85/10/5 v/v 5mM AmFm + 0.1% FA

Amount injected

50 pmol

DOI for method

Date acquired

March 2025

Submitters

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Source of standard

Cayman

17,18-DiHETE

LMFA03060078

Thermo Scientific Orbitrap Exploris 240

[M-H]-

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Structure

Common name

17,18-DiHETE

LMID

LMFA03060078

Systematic name

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

m/z

335.2228

Adduct / Ion

[M-H]-

Charge

-1

Ion source

HESI

Instrument

Thermo Scientific Orbitrap Exploris 240

Resolution

30000

Ion mode

Negative

Collision Energy (CE)

25,33,45

Column

Accucore C30 150 x 2.1

Mobile phase A

Acetonitrile:water 50/50 v/v 5mM AmFm + 0.1% FA

Mobile phase B

Isopropanol:Acetonitrile:water 85/10/5 v/v 5mM AmFm + 0.1% FA

Amount injected

50 pmol

DOI for method

Date acquired

March 2025

Submitters

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Source of standard

Cayman

17,18-DiHETE

LMFA03060078

Thermo Scientific Orbitrap Exploris 240

[M-H]-

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Structure

Common name

17,18-DiHETE

LMID

LMFA03060078

Systematic name

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

m/z

335.2228

Adduct / Ion

[M-H]-

Charge

-1

Ion source

HESI

Instrument

Thermo Scientific Orbitrap Exploris 240

Resolution

30000

Ion mode

Negative

Collision Energy (CE)

30,40,50

Column

Accucore C30 150 x 2.1

Mobile phase A

Acetonitrile:water 50/50 v/v 5mM AmFm + 0.1% FA

Mobile phase B

Isopropanol:Acetonitrile:water 85/10/5 v/v 5mM AmFm + 0.1% FA

Amount injected

50 pmol

DOI for method

Date acquired

March 2025

Submitters

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Source of standard

Cayman

17,18-DiHETE

LMFA03060078

Thermo Scientific Orbitrap Exploris 240

[M-H]-

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Structure

Common name

17,18-DiHETE

LMID

LMFA03060078

Systematic name

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

m/z

335.2228

Adduct / Ion

[M-H]-

Charge

-1

Ion source

HESI

Instrument

Thermo Scientific Orbitrap Exploris 240

Resolution

30000

Ion mode

Negative

Collision Energy (CE)

30,40,50

Column

Accucore C30 150 x 2.1

Mobile phase A

Acetonitrile:water 50/50 v/v 5mM AmFm + 0.1% FA

Mobile phase B

Isopropanol:Acetonitrile:water 85/10/5 v/v 5mM AmFm + 0.1% FA

Amount injected

50 pmol

DOI for method

Date acquired

March 2025

Submitters

Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula

Source of standard

Cayman

17,18-DiHETE

LMFA03060078

Thermo Fisher Orbitrap ID-X Tribrid

[M-H]-

Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand

Structure

Common name

17,18-DiHETE

LMID

LMFA03060078

Systematic name

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

m/z

335.2229

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

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)

7.26

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

17,18-DiHETE

LMFA03060078

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

17,18-DiHETE

LMID

LMFA03060078

Systematic name

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

m/z

335.2

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)

14.13

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

Cayman Chemical

17,18-DiHETE

LMFA03060078

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

17,18-DiHETE

LMID

LMFA03060078

Systematic name

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

m/z

335.2

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)

14.13

Amount injected

~ 0.3 ng

DOI for method

10.1016/j.aca.2017.11.002

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

Cayman Chemical

17,18-DiHETE

LMFA03060078

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

17,18-DiHETE

LMID

LMFA03060078

Systematic name

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

m/z

335.2

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)

14.13

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

Cayman Chemical

17,18-DiHETE

LMFA03060078

Waters Xevo TQ-XS Triple Quadrupole

[M-H]-

Wheelock/Hagn

Structure

Common name

17,18-DiHETE

LMID

LMFA03060078

Systematic name

(+/-)-17,18-dihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid

m/z

335.2

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)

5.85

Amount injected

0.25 ng

DOI for method

10.1021/acs.analchem.8b01651

Date acquired

March 2025

Submitters

Wheelock/Hagn

Source of standard

Cayman Chemical