Common Name
LM ID
Instrument
Adduct / Ion
Submitter
C21-15-F2t-IsoP
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":70.9,"intensity":2500},{"mz":95,"intensity":2500},{"mz":112.88,"intensity":22500},{"mz":136.9,"intensity":5000},{"mz":140.8,"intensity":5000},{"mz":149,"intensity":2500},{"mz":164.9167,"intensity":20000},{"mz":165.325,"intensity":6250},{"mz":166.9,"intensity":2500},{"mz":170.6,"intensity":7500},{"mz":170.9,"intensity":3750},{"mz":171.1,"intensity":11250},{"mz":173.1,"intensity":6250},{"mz":173.4,"intensity":2500},{"mz":175,"intensity":2500},{"mz":177,"intensity":2500},{"mz":177.2,"intensity":2500},{"mz":178.6,"intensity":2500},{"mz":178.9,"intensity":6250},{"mz":179.3,"intensity":5000},{"mz":181,"intensity":6250},{"mz":188.8,"intensity":10000},{"mz":190.4,"intensity":7500},{"mz":190.9438,"intensity":81250},{"mz":192.9,"intensity":30000},{"mz":193.1,"intensity":16250},{"mz":193.3,"intensity":5000},{"mz":193.5,"intensity":5000},{"mz":194.9,"intensity":2500},{"mz":195.4,"intensity":5000},{"mz":196.8,"intensity":3750},{"mz":197.225,"intensity":3750},{"mz":198.7,"intensity":6250},{"mz":199.1,"intensity":25000},{"mz":201,"intensity":5000},{"mz":202.5,"intensity":2500},{"mz":202.9,"intensity":56250},{"mz":203.5,"intensity":2500},{"mz":207.1257,"intensity":80000},{"mz":208.9103,"intensity":107500},{"mz":209.2636,"intensity":172500},{"mz":214.725,"intensity":6250},{"mz":215.1,"intensity":10000},{"mz":215.4,"intensity":5000},{"mz":217.163,"intensity":122500},{"mz":218.7,"intensity":11250},{"mz":219.1417,"intensity":40000},{"mz":220.8,"intensity":21250},{"mz":221.1158,"intensity":60000},{"mz":223.0077,"intensity":27500},{"mz":224.9286,"intensity":22500},{"mz":225.3875,"intensity":12500},{"mz":227.2,"intensity":3750},{"mz":229.4,"intensity":2500},{"mz":230.7,"intensity":5000},{"mz":231.125,"intensity":21250},{"mz":233.055,"intensity":86250},{"mz":234.9707,"intensity":322500},{"mz":237.2,"intensity":2500},{"mz":238.6,"intensity":7500},{"mz":239.2,"intensity":3750},{"mz":240.9,"intensity":2500},{"mz":242.8796,"intensity":93750},{"mz":243.3,"intensity":12500},{"mz":245.4,"intensity":2500},{"mz":245.6,"intensity":5000},{"mz":246.7,"intensity":2500},{"mz":246.9,"intensity":2500},{"mz":248.8,"intensity":5000},{"mz":249,"intensity":7500},{"mz":250.9,"intensity":13750},{"mz":251.4,"intensity":5000},{"mz":253.0947,"intensity":50000},{"mz":253.5,"intensity":5000},{"mz":257.3,"intensity":2500},{"mz":259.0222,"intensity":17500},{"mz":259.4,"intensity":3750},{"mz":261.16,"intensity":461250},{"mz":263,"intensity":18750},{"mz":264.8,"intensity":12500},{"mz":266.7,"intensity":3750},{"mz":267.125,"intensity":3750},{"mz":267.6,"intensity":2500},{"mz":269.1016,"intensity":243750},{"mz":270.8,"intensity":5000},{"mz":274.775,"intensity":5000},{"mz":277.1423,"intensity":288750},{"mz":278.6,"intensity":5000},{"mz":278.95,"intensity":43750},{"mz":279.4583,"intensity":12500},{"mz":282.7,"intensity":13750},{"mz":282.87,"intensity":22500},{"mz":283.3,"intensity":5000},{"mz":284.68,"intensity":31250},{"mz":285.1375,"intensity":63750},{"mz":287.1626,"intensity":481250},{"mz":293,"intensity":2500},{"mz":293.5,"intensity":6250},{"mz":294.8833,"intensity":43750},{"mz":295.1,"intensity":53750},{"mz":302.95,"intensity":17500},{"mz":303.3,"intensity":13750},{"mz":303.5,"intensity":7500},{"mz":305.1803,"intensity":1048800},{"mz":306.6,"intensity":7500},{"mz":307.0692,"intensity":16250},{"mz":307.4,"intensity":6250},{"mz":309.1,"intensity":3750},{"mz":313.185,"intensity":338750},{"mz":316.9,"intensity":2500},{"mz":323.1335,"intensity":1350000},{"mz":326.8,"intensity":6250},{"mz":327.1,"intensity":8750},{"mz":329.2,"intensity":6250},{"mz":331.1912,"intensity":221250},{"mz":347,"intensity":6250},{"mz":348.6,"intensity":5000},{"mz":349.1611,"intensity":152500},{"mz":367.2147,"intensity":1111300}]
Structure
Common name
C21-15-F2t-IsoP
LMID
Systematic name
(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxynon-1-enyl]cyclopentyl]hept-5-enoic acid
m/z
367.2
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)
9.62
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
chemical synthesis by T. Durand and Coworkers
C21-15-F2t-IsoP
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":110.6,"intensity":6666.6667},{"mz":113.1,"intensity":16667},{"mz":140.9,"intensity":6666.6667},{"mz":147.1,"intensity":6666.6667},{"mz":164.7,"intensity":6666.6667},{"mz":165,"intensity":23333},{"mz":170.7833,"intensity":50000},{"mz":171.1,"intensity":10000},{"mz":171.4,"intensity":10000},{"mz":173.275,"intensity":10000},{"mz":176.7,"intensity":6666.6667},{"mz":178.975,"intensity":13333},{"mz":179.3,"intensity":10000},{"mz":180.8556,"intensity":63333},{"mz":190.75,"intensity":33333},{"mz":191.1125,"intensity":33333},{"mz":192.5,"intensity":13333},{"mz":192.884,"intensity":130000},{"mz":193.3,"intensity":13333},{"mz":195.2,"intensity":10000},{"mz":199.2,"intensity":13333},{"mz":202.5,"intensity":20000},{"mz":202.71,"intensity":30000},{"mz":202.9,"intensity":46667},{"mz":203.2267,"intensity":130000},{"mz":204.4,"intensity":6666.6667},{"mz":207.065,"intensity":143330},{"mz":209.1,"intensity":280000},{"mz":209.6,"intensity":10000},{"mz":215,"intensity":10000},{"mz":215.2,"intensity":6666.6667},{"mz":215.4,"intensity":10000},{"mz":216.9333,"intensity":86667},{"mz":219.1,"intensity":23333},{"mz":219.3,"intensity":16667},{"mz":221.1,"intensity":23333},{"mz":221.3,"intensity":6666.6667},{"mz":222.4,"intensity":23333},{"mz":224.7,"intensity":10000},{"mz":225.2,"intensity":50000},{"mz":225.4,"intensity":13333},{"mz":230.9,"intensity":10000},{"mz":232.9,"intensity":20000},{"mz":233.1,"intensity":10000},{"mz":234.7,"intensity":53333},{"mz":235.15,"intensity":140000},{"mz":241,"intensity":6666.6667},{"mz":242.7167,"intensity":26667},{"mz":243.0833,"intensity":23333},{"mz":243.3333,"intensity":13333},{"mz":244.5,"intensity":6666.6667},{"mz":248.9,"intensity":10000},{"mz":249.2,"intensity":13333},{"mz":251,"intensity":6666.6667},{"mz":253,"intensity":16667},{"mz":260.7,"intensity":30000},{"mz":261.1233,"intensity":353330},{"mz":263,"intensity":26667},{"mz":264.8,"intensity":6666.6667},{"mz":268.8,"intensity":16667},{"mz":269.2429,"intensity":56667},{"mz":269.5,"intensity":10000},{"mz":277.2833,"intensity":196670},{"mz":279,"intensity":13333},{"mz":279.2,"intensity":16667},{"mz":286.6,"intensity":10000},{"mz":287.1818,"intensity":110000},{"mz":292.5,"intensity":6666.6667},{"mz":295,"intensity":10000},{"mz":295.275,"intensity":10000},{"mz":303.025,"intensity":16667},{"mz":305.1683,"intensity":360000},{"mz":313.0167,"intensity":26667},{"mz":313.3,"intensity":10000},{"mz":313.6,"intensity":10000},{"mz":323.2571,"intensity":123330},{"mz":330.6,"intensity":6666.6667},{"mz":331,"intensity":16667},{"mz":331.4,"intensity":13333},{"mz":348.9,"intensity":6666.6667},{"mz":367.075,"intensity":33333},{"mz":367.4,"intensity":10000}]
Structure
Common name
C21-15-F2t-IsoP
LMID
Systematic name
(Z)-7-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxynon-1-enyl]cyclopentyl]hept-5-enoic acid
m/z
367.2
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)
-20 - -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)
9.62
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
chemical synthesis by T. Durand and Coworkers