Common Name
LM ID
Instrument
Adduct
Submitter
[{"mz":59.47,"intensity":2303},{"mz":60.25,"intensity":1863},{"mz":73.2,"intensity":4066},{"mz":81.14,"intensity":2451},{"mz":83.1,"intensity":1318},{"mz":84.73,"intensity":2817},{"mz":85.27,"intensity":1934},{"mz":88.77,"intensity":2274},{"mz":92.97,"intensity":1237},{"mz":97.28,"intensity":7813},{"mz":98.19,"intensity":383},{"mz":100.63,"intensity":1181},{"mz":101.34,"intensity":3211},{"mz":104.4,"intensity":1621},{"mz":106.91,"intensity":5220},{"mz":107.66,"intensity":8039},{"mz":109.42,"intensity":3119},{"mz":110.5,"intensity":1557},{"mz":111.96,"intensity":8373},{"mz":112.53,"intensity":3888},{"mz":113.11,"intensity":11690},{"mz":115.01,"intensity":1239},{"mz":118.98,"intensity":2759},{"mz":121.11,"intensity":1911},{"mz":122.03,"intensity":12110},{"mz":123.16,"intensity":15540},{"mz":125.05,"intensity":4978},{"mz":126.2,"intensity":1393},{"mz":126.98,"intensity":14770},{"mz":127.96,"intensity":1856},{"mz":128.92,"intensity":5667},{"mz":130.83,"intensity":7367},{"mz":133.05,"intensity":4266},{"mz":135.25,"intensity":5506},{"mz":136.39,"intensity":1991},{"mz":137.09,"intensity":15850},{"mz":142.82,"intensity":1751},{"mz":158.82,"intensity":1895},{"mz":159.98,"intensity":3229},{"mz":161.2,"intensity":21010},{"mz":161.88,"intensity":724},{"mz":162.48,"intensity":19430},{"mz":163.31,"intensity":6207},{"mz":166.01,"intensity":647},{"mz":166.63,"intensity":2516},{"mz":167.17,"intensity":211},{"mz":173.64,"intensity":11480},{"mz":174.25,"intensity":8209},{"mz":175.25,"intensity":3030},{"mz":176.04,"intensity":16530},{"mz":178.53,"intensity":9643},{"mz":182.6,"intensity":1386},{"mz":187.72,"intensity":3275},{"mz":188.82,"intensity":7431},{"mz":189.82,"intensity":5015},{"mz":190.7,"intensity":12270},{"mz":191.29,"intensity":13150},{"mz":193.08,"intensity":3416000},{"mz":200.74,"intensity":2004},{"mz":202.67,"intensity":4146},{"mz":203.36,"intensity":1154},{"mz":205.04,"intensity":6864},{"mz":206.6,"intensity":5065},{"mz":210.73,"intensity":26870},{"mz":211.35,"intensity":11520},{"mz":216.03,"intensity":5301},{"mz":217.26,"intensity":2258},{"mz":218.06,"intensity":18670},{"mz":219,"intensity":42480},{"mz":219.53,"intensity":2565},{"mz":221.08,"intensity":3008},{"mz":222.21,"intensity":1700},{"mz":228.82,"intensity":1181},{"mz":229.47,"intensity":500},{"mz":231.56,"intensity":2119},{"mz":233.13,"intensity":13800},{"mz":237.1,"intensity":10820000},{"mz":238.93,"intensity":18530},{"mz":239.58,"intensity":6223},{"mz":240.7,"intensity":1547},{"mz":241.21,"intensity":5216},{"mz":245.03,"intensity":9052},{"mz":246.59,"intensity":3673},{"mz":255.05,"intensity":1154000},{"mz":255.93,"intensity":5936},{"mz":263.77,"intensity":10910},{"mz":270.42,"intensity":12510},{"mz":273.57,"intensity":1106},{"mz":274.21,"intensity":1162},{"mz":275.13,"intensity":8243000},{"mz":276.63,"intensity":914},{"mz":277.91,"intensity":6727},{"mz":278.49,"intensity":5989},{"mz":284.97,"intensity":3238},{"mz":292.87,"intensity":44280},{"mz":293.61,"intensity":26700},{"mz":297.93,"intensity":1856},{"mz":299.28,"intensity":2124},{"mz":300.91,"intensity":53590},{"mz":305.46,"intensity":4814},{"mz":312.58,"intensity":9309},{"mz":317.81,"intensity":2213},{"mz":319.08,"intensity":16480000},{"mz":337.11,"intensity":3740000},{"mz":345.29,"intensity":673},{"mz":355.09,"intensity":198200}]
Structure
Common name
PGD2-d4
LMID
Systematic name
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid (3,3,4,4-d4)
Exact mass
356.2501
m/z
355.2
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)
12
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)
2.91
Amount injected
0.25 ng
DOI for method
Date acquired
March 2025
Submitters
Wheelock/Hagn
Source of standard
Cayman Chemical
PGD2-d4
SCIEX QTRAP 6500 LC-MS/MS System
[M-H]-
Ed Dennis, Oswald Quehenberger, Aaron Armando
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Structure
Common name
PGD2-d4
LMID
Systematic name
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid (3,3,4,4-d4)
Exact mass
356.2501
m/z
355
Adduct
[M-H]-
Charge
-1
Ion source
ESI
Instrument
SCIEX QTRAP 6500 LC-MS/MS System
Resolution
N/A
For high resolution data only
Ion mode
Negative
Collision Energy (CE)
-23
Column
Not Available
Mobile phase A
60/40 Water/Acetonitrile, 0.02% Acetic Acid
Mobile phase B
50/50 Isopropanol/Acetonitrile
Retention time (min)
1.47
Amount injected
10ng
DOI for method
N/A
Date acquired
Submitters
Ed Dennis, Oswald Quehenberger, Aaron Armando
Source of standard
Cayman Chemical
PGD2-d4
Thermo Scientific Orbitrap Exploris 240
[M-H]-
Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula
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Structure
Common name
PGD2-d4
LMID
Systematic name
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid (3,3,4,4-d4)
Exact mass
356.2501
m/z
355.2428
Adduct
[M-H]-
Charge
-1
Ion source
HESI
Instrument
Thermo Scientific Orbitrap Exploris 240
Resolution
30000
For high resolution data only
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
Retention time (min)
1.78
Amount injected
25 pmol
DOI for method
N/A
Date acquired
March 2025
Submitters
Fedorova Lab (LMAI) - Gabriele Lombardi Bendoula
Source of standard
Cayman
PGD2-d4
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
PGD2-d4
LMID
Systematic name
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid (3,3,4,4-d4)
Exact mass
356.2501
m/z
355.2
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)
9.88
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
PGD2-d4
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
PGD2-d4
LMID
Systematic name
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid (3,3,4,4-d4)
Exact mass
356.2501
m/z
355.2
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)
9.88
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
PGD2-d4
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
PGD2-d4
LMID
Systematic name
9S,15S-dihydroxy-11-oxo-5Z,13E-prostadienoic acid (3,3,4,4-d4)
Exact mass
356.2501
m/z
355.2
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)
9.88
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