Common Name
LM ID
Instrument
Adduct / Ion
Submitter
PGB3
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
[{"mz":58.8,"intensity":10455},{"mz":95,"intensity":2727.2727},{"mz":108.9636,"intensity":125450},{"mz":110.8763,"intensity":21364},{"mz":112.9979,"intensity":75909},{"mz":122.75,"intensity":7727.2727},{"mz":123.1536,"intensity":25000},{"mz":132.8286,"intensity":13636},{"mz":133.255,"intensity":8636.3636},{"mz":135,"intensity":6363.6364},{"mz":135.2,"intensity":4090.9091},{"mz":135.4,"intensity":2727.2727},{"mz":136.8286,"intensity":20909},{"mz":137.25,"intensity":20455},{"mz":142.964,"intensity":18636},{"mz":144.7,"intensity":2727.2727},{"mz":146.5,"intensity":3636.3636},{"mz":148.6,"intensity":5909.0909},{"mz":148.9167,"intensity":15000},{"mz":149.2917,"intensity":6363.6364},{"mz":150.7,"intensity":2727.2727},{"mz":151.1833,"intensity":9090.9091},{"mz":152.7815,"intensity":53182},{"mz":154.9262,"intensity":100000},{"mz":156.8765,"intensity":30000},{"mz":157.1,"intensity":8636.3636},{"mz":158.6889,"intensity":7727.2727},{"mz":159.2,"intensity":22727},{"mz":160.8,"intensity":14545},{"mz":161.175,"intensity":31364},{"mz":162.7208,"intensity":8636.3636},{"mz":163.2314,"intensity":61818},{"mz":165.1,"intensity":2727.2727},{"mz":172.7,"intensity":10455},{"mz":173.0714,"intensity":20000},{"mz":175.047,"intensity":198640},{"mz":176.75,"intensity":10909},{"mz":177.4,"intensity":3181.8182},{"mz":178.9917,"intensity":25000},{"mz":181.0076,"intensity":74091},{"mz":183.0241,"intensity":40909},{"mz":185.0308,"intensity":182730},{"mz":187.0704,"intensity":27727},{"mz":189.1,"intensity":85000},{"mz":191.119,"intensity":32727},{"mz":192,"intensity":11364},{"mz":192.7,"intensity":15455},{"mz":192.9,"intensity":7727.2727},{"mz":195.0947,"intensity":43636},{"mz":198.7895,"intensity":11818},{"mz":199.175,"intensity":4545.4545},{"mz":200.825,"intensity":12727},{"mz":201.155,"intensity":9545.4545},{"mz":202.0092,"intensity":310000},{"mz":203.0929,"intensity":25455},{"mz":203.8827,"intensity":71364},{"mz":204.1,"intensity":24091},{"mz":204.4,"intensity":11364},{"mz":204.9886,"intensity":100450},{"mz":205.775,"intensity":4090.9091},{"mz":206,"intensity":3181.8182},{"mz":206.2,"intensity":3181.8182},{"mz":207.0083,"intensity":273640},{"mz":209.0695,"intensity":429550},{"mz":210.7,"intensity":4090.9091},{"mz":210.9733,"intensity":9090.9091},{"mz":214.8933,"intensity":24545},{"mz":215.8125,"intensity":3181.8182},{"mz":216.3,"intensity":3181.8182},{"mz":216.9533,"intensity":44545},{"mz":217.5,"intensity":3181.8182},{"mz":219.0441,"intensity":62273},{"mz":221.0682,"intensity":549550},{"mz":223.1087,"intensity":654090},{"mz":225.0333,"intensity":11818},{"mz":226.9655,"intensity":123640},{"mz":228.4,"intensity":2727.2727},{"mz":228.8,"intensity":5000},{"mz":229.2917,"intensity":10455},{"mz":229.9805,"intensity":20909},{"mz":230.4,"intensity":2727.2727},{"mz":230.9593,"intensity":36364},{"mz":232.3,"intensity":2727.2727},{"mz":233.0772,"intensity":296360},{"mz":235.0089,"intensity":461820},{"mz":236.968,"intensity":27727},{"mz":241.2,"intensity":5000},{"mz":242.7,"intensity":9545.4545},{"mz":243.0727,"intensity":17727},{"mz":243.9,"intensity":6363.6364},{"mz":244.1,"intensity":3181.8182},{"mz":245.0587,"intensity":43636},{"mz":246.9137,"intensity":125450},{"mz":248.9273,"intensity":225000},{"mz":250.825,"intensity":78182},{"mz":251.2,"intensity":10000},{"mz":252.7,"intensity":5454.5455},{"mz":256.2,"intensity":3181.8182},{"mz":256.86,"intensity":5454.5455},{"mz":259.1,"intensity":4090.9091},{"mz":260.9,"intensity":11364},{"mz":261.2118,"intensity":5909.0909},{"mz":262.0418,"intensity":552730},{"mz":263.02,"intensity":16818},{"mz":264.74,"intensity":13636},{"mz":265.0429,"intensity":3636.3636},{"mz":265.3,"intensity":8181.8182},{"mz":266.8657,"intensity":72727},{"mz":269.1769,"intensity":250000},{"mz":270.9663,"intensity":224550},{"mz":272.7417,"intensity":5454.5455},{"mz":273.9934,"intensity":85455},{"mz":275.9125,"intensity":12273},{"mz":276.4,"intensity":2727.2727},{"mz":282.9056,"intensity":34091},{"mz":287.1422,"intensity":310910},{"mz":287.9,"intensity":3181.8182},{"mz":288.31,"intensity":5454.5455},{"mz":289.0488,"intensity":70000},{"mz":290.9319,"intensity":177270},{"mz":295.1313,"intensity":24545},{"mz":299.03,"intensity":4090.9091},{"mz":302.945,"intensity":22727},{"mz":310.913,"intensity":239090},{"mz":313.1023,"intensity":639090},{"mz":329.0846,"intensity":23636},{"mz":331.0866,"intensity":1790500}]
Structure
Common name
PGB3
LMID
Systematic name
9-oxo-15S-hydroxy-5Z,8(12),13E,17Z-prostatetraenoic acid
m/z
331.2
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)
10.95
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
PGB3
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":58.9,"intensity":3666.6667},{"mz":59.3,"intensity":2333.3333},{"mz":94.7,"intensity":1666.6667},{"mz":95,"intensity":1666.6667},{"mz":109,"intensity":17333},{"mz":111,"intensity":6000},{"mz":113.1,"intensity":7666.6667},{"mz":120.6,"intensity":1333.3333},{"mz":120.8,"intensity":2333.3333},{"mz":121.1,"intensity":2000},{"mz":121.4,"intensity":1333.3333},{"mz":122.7,"intensity":2666.6667},{"mz":123,"intensity":7000},{"mz":124.7,"intensity":1333.3333},{"mz":125.1,"intensity":1666.6667},{"mz":127.1,"intensity":1333.3333},{"mz":127.3,"intensity":1333.3333},{"mz":132.9,"intensity":3666.6667},{"mz":133.2,"intensity":2333.3333},{"mz":135.1,"intensity":3000},{"mz":136.9,"intensity":6666.6667},{"mz":142.7,"intensity":1333.3333},{"mz":144.8,"intensity":1666.6667},{"mz":147,"intensity":1333.3333},{"mz":147.4,"intensity":1333.3333},{"mz":148.4,"intensity":1333.3333},{"mz":149,"intensity":3000},{"mz":150.6,"intensity":2000},{"mz":151.1,"intensity":3000},{"mz":154.9,"intensity":3000},{"mz":157,"intensity":2000},{"mz":157.2,"intensity":1333.3333},{"mz":158.9,"intensity":2000},{"mz":161.2,"intensity":7666.6667},{"mz":163,"intensity":10000},{"mz":169,"intensity":1333.3333},{"mz":169.3,"intensity":1333.3333},{"mz":172.7,"intensity":8000},{"mz":175.2,"intensity":28667},{"mz":177.3,"intensity":5333.3333},{"mz":178.9,"intensity":3666.6667},{"mz":180.9,"intensity":8666.6667},{"mz":183,"intensity":5000},{"mz":185.2,"intensity":21667},{"mz":186.8,"intensity":2666.6667},{"mz":187.1,"intensity":2333.3333},{"mz":188.9,"intensity":8333.3333},{"mz":190.1,"intensity":2000},{"mz":191.2,"intensity":6666.6667},{"mz":191.8,"intensity":3666.6667},{"mz":192.1,"intensity":3000},{"mz":192.3,"intensity":2333.3333},{"mz":192.9,"intensity":3666.6667},{"mz":195.1,"intensity":5333.3333},{"mz":197,"intensity":1333.3333},{"mz":198.8,"intensity":1333.3333},{"mz":199,"intensity":1333.3333},{"mz":199.2,"intensity":2333.3333},{"mz":200.9,"intensity":2333.3333},{"mz":200.9,"intensity":2333.3333},{"mz":202,"intensity":54000},{"mz":203.4,"intensity":2333.3333},{"mz":203.9,"intensity":19333},{"mz":204.9,"intensity":5000},{"mz":205.3,"intensity":6000},{"mz":205.6,"intensity":1333.3333},{"mz":206,"intensity":2000},{"mz":206.3,"intensity":2333.3333},{"mz":207.2,"intensity":30333},{"mz":209,"intensity":60000},{"mz":210.8,"intensity":1666.6667},{"mz":211,"intensity":1666.6667},{"mz":211.4,"intensity":1333.3333},{"mz":214.6,"intensity":1666.6667},{"mz":215.3,"intensity":2666.6667},{"mz":215.8,"intensity":2000},{"mz":216.3,"intensity":2666.6667},{"mz":216.6,"intensity":6666.6667},{"mz":217.1,"intensity":8000},{"mz":218,"intensity":1333.3333},{"mz":219,"intensity":9000},{"mz":221.2,"intensity":69667},{"mz":223.2,"intensity":92333},{"mz":227,"intensity":4666.6667},{"mz":229,"intensity":1666.6667},{"mz":229.2,"intensity":1666.6667},{"mz":229.4,"intensity":1666.6667},{"mz":229.6,"intensity":2333.3333},{"mz":229.9,"intensity":5333.3333},{"mz":230.6,"intensity":1666.6667},{"mz":231.2,"intensity":4000},{"mz":232.2,"intensity":2000},{"mz":233,"intensity":33333},{"mz":235.2,"intensity":63333},{"mz":237,"intensity":3000},{"mz":239.3,"intensity":1333.3333},{"mz":240.9,"intensity":1333.3333},{"mz":242.6,"intensity":1666.6667},{"mz":243.1,"intensity":3666.6667},{"mz":245.1,"intensity":4333.3333},{"mz":245.3,"intensity":3333.3333},{"mz":247,"intensity":2666.6667},{"mz":248.7,"intensity":6000},{"mz":249.3,"intensity":5333.3333},{"mz":249.5,"intensity":3000},{"mz":250.8,"intensity":4666.6667},{"mz":251.1,"intensity":2000},{"mz":252.9,"intensity":1666.6667},{"mz":255.6,"intensity":2000},{"mz":256.1,"intensity":1333.3333},{"mz":256.4,"intensity":1666.6667},{"mz":257.3,"intensity":1666.6667},{"mz":257.9,"intensity":1666.6667},{"mz":258.2,"intensity":1666.6667},{"mz":259.1,"intensity":2333.3333},{"mz":259.4,"intensity":2000},{"mz":260.6,"intensity":2000},{"mz":261,"intensity":3000},{"mz":261.2,"intensity":2333.3333},{"mz":262.2,"intensity":53333},{"mz":263.1,"intensity":1333.3333},{"mz":263.3,"intensity":1333.3333},{"mz":264.3,"intensity":1666.6667},{"mz":267.1,"intensity":2666.6667},{"mz":267.3,"intensity":1666.6667},{"mz":269.2,"intensity":26000},{"mz":270.9,"intensity":11667},{"mz":272.9,"intensity":1666.6667},{"mz":274.1,"intensity":11667},{"mz":275.7,"intensity":2333.3333},{"mz":276.3,"intensity":2666.6667},{"mz":282.7,"intensity":2000},{"mz":282.9,"intensity":1666.6667},{"mz":285.4,"intensity":1666.6667},{"mz":287.3,"intensity":25333},{"mz":289.2,"intensity":9333.3333},{"mz":290.7,"intensity":3333.3333},{"mz":295,"intensity":3333.3333},{"mz":295.4,"intensity":2333.3333},{"mz":296.2,"intensity":1333.3333},{"mz":299,"intensity":2333.3333},{"mz":302.8,"intensity":4333.3333},{"mz":303,"intensity":2000},{"mz":303.2,"intensity":4333.3333},{"mz":310.8,"intensity":6000},{"mz":313.1,"intensity":52667},{"mz":329.2,"intensity":2666.6667},{"mz":329.4,"intensity":3000},{"mz":331.2,"intensity":130670}]
Structure
Common name
PGB3
LMID
Systematic name
9-oxo-15S-hydroxy-5Z,8(12),13E,17Z-prostatetraenoic acid
m/z
331.2
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)
10.95
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
PGB3
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":52.7997551,"intensity":2174.657227},{"mz":56.61762238,"intensity":2007.378052},{"mz":57.03423691,"intensity":3478.018555},{"mz":59.01342773,"intensity":14970.20703},{"mz":63.90295029,"intensity":2240.165771},{"mz":64.47835541,"intensity":2466.964355},{"mz":65.0474472,"intensity":2532.201416},{"mz":67.05493927,"intensity":3180.796875},{"mz":67.74383545,"intensity":2445.122559},{"mz":68.2574234,"intensity":2339.02002},{"mz":68.92312622,"intensity":2090.753418},{"mz":76.09793091,"intensity":2461.179932},{"mz":78.90583038,"intensity":2369.943848},{"mz":81.0344162,"intensity":2816.966797},{"mz":81.7565155,"intensity":2427.644287},{"mz":83.0500412,"intensity":8079.567871},{"mz":83.3323822,"intensity":2245.105469},{"mz":85.72348785,"intensity":2457.870361},{"mz":93.2347641,"intensity":2526.460693},{"mz":95.05017853,"intensity":10643.00293},{"mz":96.33539581,"intensity":2578.288818},{"mz":96.56445313,"intensity":2405.746094},{"mz":97.06574249,"intensity":2930.166016},{"mz":99.9095993,"intensity":2618.601563},{"mz":102.2948456,"intensity":3103.393311},{"mz":102.8772125,"intensity":2369.556396},{"mz":104.829071,"intensity":2358.110107},{"mz":107.0502319,"intensity":2804.021729},{"mz":107.1375275,"intensity":2241.402832},{"mz":109.0658798,"intensity":104069.1719},{"mz":111.0815048,"intensity":62421.03125},{"mz":113.0973053,"intensity":12961.4707},{"mz":113.7218704,"intensity":2575.452881},{"mz":115.5643082,"intensity":2295.081787},{"mz":121.0659332,"intensity":10512.54297},{"mz":121.8152313,"intensity":2323.797363},{"mz":122.4971619,"intensity":2478.556885},{"mz":123.0815125,"intensity":21142.78711},{"mz":125.0541382,"intensity":2541.641113},{"mz":125.0971756,"intensity":2339.263916},{"mz":129.3908386,"intensity":2546.59082},{"mz":131.0137939,"intensity":2562.022705},{"mz":132.8676147,"intensity":3254.819336},{"mz":133.0658569,"intensity":7015.468262},{"mz":135.0816803,"intensity":14776.41504},{"mz":135.4809875,"intensity":2383.178223},{"mz":137.0971069,"intensity":35558.66406},{"mz":149.0971222,"intensity":9017.866211},{"mz":150.8340302,"intensity":4080.173828},{"mz":151.1127472,"intensity":12436.68555},{"mz":161.097168,"intensity":24386.00195},{"mz":163.0763855,"intensity":3330.642822},{"mz":163.112854,"intensity":53433.72656},{"mz":165.1283417,"intensity":3561.450439},{"mz":173.097168,"intensity":8604.970703},{"mz":173.8798981,"intensity":2501.484863},{"mz":174.1222229,"intensity":2536.392334},{"mz":175.1128387,"intensity":88412.07813},{"mz":177.1285858,"intensity":12439.17188},{"mz":179.1441345,"intensity":11473.77344},{"mz":181.0870667,"intensity":7450.804199},{"mz":183.102356,"intensity":14338.14941},{"mz":185.1182404,"intensity":31001.00195},{"mz":186.10495,"intensity":3832.778076},{"mz":189.1286011,"intensity":11024.71387},{"mz":190.1000519,"intensity":2796.577637},{"mz":191.1077271,"intensity":8644.922852},{"mz":191.1440887,"intensity":33586.58203},{"mz":192.1157227,"intensity":8494.217773},{"mz":194.9969025,"intensity":2811.315674},{"mz":195.1028748,"intensity":6091.367188},{"mz":202.1000061,"intensity":161173.3438},{"mz":203.1082001,"intensity":6596.641602},{"mz":204.1155396,"intensity":43067.48438},{"mz":205.1186676,"intensity":2600.044189},{"mz":205.1234741,"intensity":3272.406006},{"mz":206.1313324,"intensity":5216.843262},{"mz":207.1026306,"intensity":28714.47656},{"mz":207.1390533,"intensity":8629.097656},{"mz":207.9671173,"intensity":2813.41748},{"mz":209.1183472,"intensity":115877.1484},{"mz":217.123291,"intensity":10199.75879},{"mz":217.1593475,"intensity":3772.169678},{"mz":219.1029205,"intensity":8474.173828},{"mz":221.1182861,"intensity":64801.23438},{"mz":223.1340332,"intensity":191762.7813},{"mz":224.1370392,"intensity":3705.915771},{"mz":226.9939728,"intensity":4795.436523},{"mz":229.1597443,"intensity":4549.22168},{"mz":230.1312103,"intensity":11136.20801},{"mz":232.7640991,"intensity":7561.630859},{"mz":233.118576,"intensity":6172.578613},{"mz":233.1547394,"intensity":30599.59961},{"mz":235.1340637,"intensity":141264.0313},{"mz":242.1977997,"intensity":2906.863281},{"mz":245.1910095,"intensity":5733.853516},{"mz":247.7086639,"intensity":2641.688477},{"mz":249.149826,"intensity":5049.182617},{"mz":250.9939117,"intensity":6208.168945},{"mz":256.1107483,"intensity":3036.470459},{"mz":261.1133118,"intensity":4010.554688},{"mz":262.1212158,"intensity":44798.71484},{"mz":269.1913452,"intensity":23051.73828},{"mz":271.0004272,"intensity":4198.12793},{"mz":271.1704712,"intensity":7402.333984},{"mz":274.1212769,"intensity":25888.19336},{"mz":276.1366882,"intensity":4543.76709},{"mz":285.1862488,"intensity":3198.995361},{"mz":287.164917,"intensity":6050.672363},{"mz":287.2017822,"intensity":28805.2832},{"mz":289.1808167,"intensity":16923.86523},{"mz":291.0075684,"intensity":2653.845215},{"mz":307.4244995,"intensity":2566.224121},{"mz":310.9952698,"intensity":3571.700439},{"mz":313.1811218,"intensity":101224.5234},{"mz":329.1758118,"intensity":5818.015625},{"mz":331.1916199,"intensity":154985.7188},{"mz":353.2070007,"intensity":2775.182373}]
Structure
Common name
PGB3
LMID
Systematic name
9-oxo-15S-hydroxy-5Z,8(12),13E,17Z-prostatetraenoic acid
m/z
331.2
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)
10.95
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