Common Name
LM ID
Instrument
Adduct
Submitter
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22270},{"mz":311.35,"intensity":13570},{"mz":313.47,"intensity":12580},{"mz":315.14,"intensity":50890},{"mz":325.12,"intensity":1631000},{"mz":341.04,"intensity":20570},{"mz":343.12,"intensity":2425000}]
Structure
Common name
(+/-)-13-HDoHE
LMID
Systematic name
(+/-)-13-hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acid
Exact mass
344.2351
m/z
343.2
Adduct
[M-H]-
Charge
-1
Ion source
ESI
Instrument
Waters Xevo TQ-XS Triple Quadrupole
Resolution
N/A
For high resolution data only
Ion mode
Negative
Collision Energy (CE)
15
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)
9.53
Amount injected
0.25 ng
DOI for method
Date acquired
March 2025
Submitters
Wheelock/Hagn
Source of standard
Cayman Chemical
(+/-)-13-HDoHE
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
(+/-)-13-HDoHE
LMID
Systematic name
(+/-)-13-hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acid
Exact mass
344.2351
m/z
343.2281
Adduct
[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)
17.23
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
(+/-)-13-HDoHE
Thermo Fisher Orbitrap ID-X Tribrid
[M-H]-
Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand
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Structure
Common name
(+/-)-13-HDoHE
LMID
Systematic name
(+/-)-13-hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acid
Exact mass
344.2351
m/z
343.2279
Adduct
[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
Cayman
(+/-)-13-HDoHE
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
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Structure
Common name
(+/-)-13-HDoHE
LMID
Systematic name
(+/-)-13-hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acid
Exact mass
344.2351
m/z
343.2
Adduct
[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)
21.37
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
Cayman Chemical
(+/-)-13-HDoHE
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":59.1,"intensity":3600},{"mz":59.3,"intensity":2800},{"mz":68.8,"intensity":2400},{"mz":93.2,"intensity":2400},{"mz":95,"intensity":3600},{"mz":107.1,"intensity":2800},{"mz":109,"intensity":2800},{"mz":109.3,"intensity":2800},{"mz":112.5,"intensity":3200},{"mz":117,"intensity":2800},{"mz":118.9,"intensity":2400},{"mz":121,"intensity":51600},{"mz":122.8,"intensity":4000},{"mz":132.8,"intensity":3600},{"mz":133.3,"intensity":3600},{"mz":134.7,"intensity":4000},{"mz":135.1,"intensity":7200},{"mz":135.3,"intensity":6000},{"mz":143,"intensity":3600},{"mz":143.3,"intensity":3600},{"mz":147.1,"intensity":4000},{"mz":149.3,"intensity":16800},{"mz":150,"intensity":5600},{"mz":151.2,"intensity":2400},{"mz":153.1,"intensity":2400},{"mz":158.9,"intensity":6000},{"mz":160.8,"intensity":3600},{"mz":161.3,"intensity":2800},{"mz":163,"intensity":4800},{"mz":163.3,"intensity":4000},{"mz":165.2,"intensity":5600},{"mz":172.2,"intensity":2800},{"mz":175.3,"intensity":7200},{"mz":177.1,"intensity":18000},{"mz":178.8,"intensity":4800},{"mz":179.1,"intensity":4000},{"mz":186.8,"intensity":2400},{"mz":187.3,"intensity":2400},{"mz":189,"intensity":13200},{"mz":190.6,"intensity":2400},{"mz":190.8,"intensity":2400},{"mz":191.2,"intensity":4000},{"mz":192.9,"intensity":216800},{"mz":201.2,"intensity":12400},{"mz":203.2,"intensity":9600},{"mz":214.8,"intensity":3200},{"mz":217,"intensity":3600},{"mz":218.9,"intensity":3200},{"mz":221.2,"intensity":68800},{"mz":221.7,"intensity":6400},{"mz":222.2,"intensity":7200},{"mz":227,"intensity":14400},{"mz":235.2,"intensity":2400},{"mz":237.2,"intensity":3200},{"mz":239.2,"intensity":4400},{"mz":243.1,"intensity":2800},{"mz":245,"intensity":2400},{"mz":245.2,"intensity":2400},{"mz":246.9,"intensity":4800},{"mz":247.1,"intensity":2400},{"mz":254.8,"intensity":2800},{"mz":259.2,"intensity":3200},{"mz":261,"intensity":7200},{"mz":262.8,"intensity":2800},{"mz":263,"intensity":4400},{"mz":263.3,"intensity":2800},{"mz":271,"intensity":2400},{"mz":281.3,"intensity":66000},{"mz":283,"intensity":7200},{"mz":294.7,"intensity":2800},{"mz":299.3,"intensity":10000},{"mz":303,"intensity":8400},{"mz":322.9,"intensity":13600},{"mz":325.2,"intensity":18400},{"mz":343.2,"intensity":29600}]
Structure
Common name
(+/-)-13-HDoHE
LMID
Systematic name
(+/-)-13-hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acid
Exact mass
344.2351
m/z
343.2
Adduct
[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)
21.37
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
Cayman Chemical
(+/-)-13-HDoHE
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
(+/-)-13-HDoHE
LMID
Systematic name
(+/-)-13-hydroxy-4Z,7Z,10Z,14E,16Z,19Z-docosahexaenoic acid
Exact mass
344.2351
m/z
343.2
Adduct
[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)
21.37
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
Cayman Chemical