Common Name
LM ID
Instrument
Adduct / Ion
Submitter
7,17-DiHDPA
SCIEX QTRAP 6500 LC-MS/MS System
[M-H]-
Ed Dennis, Oswald Quehenberger, Aaron Armando
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Structure
Common name
7,17-DiHDPA
LMID
Systematic name
7S,17S-dihydroxy-8E,10Z,13Z,15E,19Z-Docosapentaenoic acid
m/z
361
Adduct / Ion
[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)
-21
Column
Not Available
Mobile phase A
60/40 Water/Acetonitrile, 0.02% Acetic Acid
Mobile phase B
50/50 Isopropanol/Acetonitrile
Retention time (min)
3.1
Amount injected
10ng
DOI for method
Date acquired
Submitters
Ed Dennis, Oswald Quehenberger, Aaron Armando
Source of standard
Cayman Chemical
7,17-DiHDPA
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
7,17-DiHDPA
LMID
Systematic name
7S,17S-dihydroxy-8E,10Z,13Z,15E,19Z-Docosapentaenoic acid
m/z
361.2
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)
14.71
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
7,17-DiHDPA
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":118.95,"intensity":50000},{"mz":143.0261,"intensity":465000},{"mz":156.8375,"intensity":15000},{"mz":157.1,"intensity":12500},{"mz":196.9,"intensity":10000},{"mz":198.82,"intensity":100000},{"mz":199.2481,"intensity":387500},{"mz":201.0857,"intensity":185000},{"mz":202.9815,"intensity":220000},{"mz":206.2,"intensity":20000},{"mz":217.0094,"intensity":760000},{"mz":217.7,"intensity":17500},{"mz":218.9423,"intensity":115000},{"mz":227.2,"intensity":20000},{"mz":228.9,"intensity":10000},{"mz":245.0467,"intensity":347500},{"mz":247.3,"intensity":15000},{"mz":262.8071,"intensity":32500},{"mz":263.1977,"intensity":240000},{"mz":272.8,"intensity":12500},{"mz":273,"intensity":15000},{"mz":274.2333,"intensity":75000},{"mz":281.2,"intensity":307500},{"mz":293,"intensity":10000},{"mz":299.075,"intensity":47500},{"mz":300.8,"intensity":37500},{"mz":301.1875,"intensity":32500},{"mz":320.6,"intensity":10000},{"mz":320.93,"intensity":62500},{"mz":321.2154,"intensity":22500},{"mz":325.1,"intensity":32500},{"mz":325.34,"intensity":17500},{"mz":340.7,"intensity":20000},{"mz":340.9,"intensity":17500},{"mz":341.3,"intensity":12500},{"mz":343.2,"intensity":37500},{"mz":343.4,"intensity":25000},{"mz":360.625,"intensity":37500},{"mz":361.0545,"intensity":67500}]
Structure
Common name
7,17-DiHDPA
LMID
Systematic name
7S,17S-dihydroxy-8E,10Z,13Z,15E,19Z-Docosapentaenoic acid
m/z
361.2
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)
-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)
14.71
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
7,17-DiHDPA
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
[{"mz":51.57278824,"intensity":1280.783569},{"mz":53.64747238,"intensity":1274.642822},{"mz":55.72904968,"intensity":1151.733643},{"mz":56.20080566,"intensity":1099.80542},{"mz":56.82534409,"intensity":1228.01416},{"mz":57.92457199,"intensity":1405.479736},{"mz":59.01344681,"intensity":9331.395508},{"mz":61.08232117,"intensity":1769.438843},{"mz":63.15415192,"intensity":1235.423706},{"mz":65.03933716,"intensity":1822.681396},{"mz":65.14980316,"intensity":1230.165649},{"mz":69.03432465,"intensity":2238.091064},{"mz":70.39024353,"intensity":1373.608643},{"mz":76.22875214,"intensity":1393.418701},{"mz":81.89373016,"intensity":1468.387939},{"mz":86.27851105,"intensity":1311.08606},{"mz":91.24362946,"intensity":1417.633179},{"mz":91.24663544,"intensity":1354.459473},{"mz":93.0345459,"intensity":2995.474121},{"mz":95.04998016,"intensity":1518.625244},{"mz":97.0659256,"intensity":16405.89453},{"mz":99.1385498,"intensity":1275.947754},{"mz":102.2963409,"intensity":1665.267578},{"mz":107.0865784,"intensity":3615.096924},{"mz":108.4222183,"intensity":1313.970215},{"mz":111.0815353,"intensity":12229.69531},{"mz":112.9854965,"intensity":1552.776489},{"mz":113.0972672,"intensity":2494.779785},{"mz":117.0709839,"intensity":1538.896851},{"mz":118.207016,"intensity":1199.59729},{"mz":119.0865555,"intensity":23847.70898},{"mz":121.1021729,"intensity":7240.75293},{"mz":123.0451355,"intensity":2102.072998},{"mz":123.0818405,"intensity":1441.887695},{"mz":125.0606842,"intensity":2344.16748},{"mz":131.3933868,"intensity":1442.484375},{"mz":133.1021576,"intensity":3146.962891},{"mz":137.0970612,"intensity":2222.325684},{"mz":137.5072021,"intensity":1247.392944},{"mz":139.0765991,"intensity":1880.24231},{"mz":142.6862335,"intensity":1589.263794},{"mz":143.0713348,"intensity":79801.53125},{"mz":147.0815277,"intensity":4232.922852},{"mz":147.1180267,"intensity":13995.64551},{"mz":148.0893402,"intensity":2593.553223},{"mz":151.1128235,"intensity":1926.699097},{"mz":157.0868988,"intensity":21546.50195},{"mz":158.4880981,"intensity":1294.695435},{"mz":159.1176605,"intensity":1757.57959},{"mz":161.1336517,"intensity":3547.659668},{"mz":167.1080475,"intensity":2111.793457},{"mz":169.0869141,"intensity":5601.417969},{"mz":172.4604492,"intensity":1235.280396},{"mz":173.1333923,"intensity":10884.5166},{"mz":174.9924011,"intensity":5273.112305},{"mz":175.1492462,"intensity":2542.841064},{"mz":177.12854,"intensity":1656.013916},{"mz":178.3229065,"intensity":1378.006592},{"mz":181.5470123,"intensity":1677.202881},{"mz":183.1025391,"intensity":9787.402344},{"mz":183.1275024,"intensity":1385.908203},{"mz":188.1206665,"intensity":1650.767578},{"mz":195.1023712,"intensity":2408.72168},{"mz":197.1184692,"intensity":1774.326172},{"mz":197.9123535,"intensity":1304.905151},{"mz":199.1492767,"intensity":78913.71875},{"mz":201.164978,"intensity":28376.95313},{"mz":202.9875946,"intensity":10591.12207},{"mz":203.0232391,"intensity":5484.298828},{"mz":204.3002167,"intensity":1432.751953},{"mz":205.2991791,"intensity":1491.165039},{"mz":206.3892822,"intensity":1340.929199},{"mz":209.118454,"intensity":3092.63623},{"mz":217.0030212,"intensity":15027.86426},{"mz":218.0063019,"intensity":1618.388062},{"mz":219.0082855,"intensity":1446.668457},{"mz":219.175293,"intensity":2449.774658},{"mz":221.1181793,"intensity":1566.728638},{"mz":227.1807251,"intensity":5361.945801},{"mz":229.1598816,"intensity":3243.6875},{"mz":233.0031128,"intensity":1680.047363},{"mz":245.1547546,"intensity":15516.41992},{"mz":247.1337738,"intensity":1875.162964},{"mz":247.170517,"intensity":5014.075684},{"mz":252.9899139,"intensity":1603.060913},{"mz":253.9467468,"intensity":1417.652466},{"mz":254.9863586,"intensity":5223.733398},{"mz":256.9844666,"intensity":1495.400024},{"mz":258.7445068,"intensity":1260.160767},{"mz":260.9980774,"intensity":1743.795288},{"mz":263.1652832,"intensity":37340.38672},{"mz":266.9865723,"intensity":1536.389648},{"mz":269.8132935,"intensity":1494.389404},{"mz":272.995636,"intensity":2381.823242},{"mz":273.150116,"intensity":2699.151611},{"mz":274.1575623,"intensity":7356.069824},{"mz":280.9844971,"intensity":6448.224121},{"mz":281.0035706,"intensity":2136.967773},{"mz":281.2275391,"intensity":26159.16016},{"mz":292.9845886,"intensity":1667.392212},{"mz":294.9812622,"intensity":1977.941162},{"mz":299.2381592,"intensity":6648.404297},{"mz":300.9906921,"intensity":13530.54199},{"mz":320.9783936,"intensity":3698.201172},{"mz":320.9967346,"intensity":8909.817383},{"mz":321.0166626,"intensity":2495.090332},{"mz":325.2173157,"intensity":10155.21875},{"mz":340.9846191,"intensity":5397.001465},{"mz":341.0030518,"intensity":6743.467773},{"mz":343.2282715,"intensity":14650.13574},{"mz":357.6921692,"intensity":1275.635986},{"mz":360.9911194,"intensity":2462.714111},{"mz":361.0094604,"intensity":8581.668945},{"mz":361.2382507,"intensity":8047.249512},{"mz":363.6001587,"intensity":1445.242188}]
Structure
Common name
7,17-DiHDPA
LMID
Systematic name
7S,17S-dihydroxy-8E,10Z,13Z,15E,19Z-Docosapentaenoic acid
m/z
361.2
Adduct / Ion
[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)
14.71
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
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Structure
Common name
7,17-DiHDPA
LMID
Systematic name
7S,17S-dihydroxy-8E,10Z,13Z,15E,19Z-Docosapentaenoic acid
m/z
361.2
Adduct / Ion
[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)
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)
6.29
Amount injected
0.25 ng
DOI for method
Date acquired
March 2025
Submitters
Wheelock/Hagn
Source of standard
Cayman Chemical