Common Name
LM ID
Instrument
Adduct / Ion
Submitter
7(RS)-ST-delta8-11-dihomo-IsoF
Thermo Scientific Q Exactive Focus Orbitrap LC-MS/MS System
[M-H]-
Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand
[{"mz":50.738,"intensity":5300},{"mz":51.3638,"intensity":3600},{"mz":51.765,"intensity":3500},{"mz":52.2599,"intensity":4100},{"mz":52.5213,"intensity":1600},{"mz":52.5784,"intensity":5800},{"mz":52.6554,"intensity":5500},{"mz":55.6092,"intensity":3200},{"mz":55.6415,"intensity":5400},{"mz":56.368,"intensity":5300},{"mz":57.0331,"intensity":270000},{"mz":58.0038,"intensity":43000},{"mz":59.0123,"intensity":270000},{"mz":60.9916,"intensity":19000},{"mz":61.993,"intensity":5900},{"mz":63.677,"intensity":1600},{"mz":64.212,"intensity":5900},{"mz":65.7686,"intensity":1500},{"mz":66.0222,"intensity":1900},{"mz":67.7262,"intensity":4100},{"mz":69.0332,"intensity":16000},{"mz":70.8964,"intensity":7400},{"mz":71.0124,"intensity":77000},{"mz":71.0491,"intensity":12000},{"mz":71.1069,"intensity":5900},{"mz":72.9918,"intensity":3900},{"mz":73.028,"intensity":110000},{"mz":74.3139,"intensity":6300},{"mz":75.0245,"intensity":4200},{"mz":76.3945,"intensity":6500},{"mz":77.5176,"intensity":7100},{"mz":81.0332,"intensity":1900},{"mz":83.0126,"intensity":6700},{"mz":83.0486,"intensity":160000},{"mz":83.1253,"intensity":1800},{"mz":85.028,"intensity":470000},{"mz":86.6653,"intensity":7200},{"mz":87.0071,"intensity":1800},{"mz":90.7937,"intensity":4000},{"mz":90.9322,"intensity":31000},{"mz":92.275,"intensity":22000},{"mz":93.0332,"intensity":6200},{"mz":95.0122,"intensity":7400},{"mz":95.0487,"intensity":270000},{"mz":97.0278,"intensity":26000},{"mz":97.0644,"intensity":480000},{"mz":97.8409,"intensity":1900},{"mz":99.0436,"intensity":49000},{"mz":99.0801,"intensity":49000},{"mz":99.3144,"intensity":150000},{"mz":99.3204,"intensity":16000},{"mz":101.4541,"intensity":7700},{"mz":102.9317,"intensity":8100},{"mz":106.443,"intensity":4800},{"mz":107.0487,"intensity":7600},{"mz":108.1244,"intensity":4000},{"mz":109.0278,"intensity":23000},{"mz":109.0644,"intensity":51000},{"mz":109.6378,"intensity":7500},{"mz":110.036,"intensity":27000},{"mz":111.0436,"intensity":81000},{"mz":111.0803,"intensity":44000},{"mz":112.9841,"intensity":6700},{"mz":113.0227,"intensity":7500},{"mz":113.0592,"intensity":18000},{"mz":113.0957,"intensity":50000},{"mz":113.2431,"intensity":7800},{"mz":119.3637,"intensity":6900},{"mz":121.0644,"intensity":89000},{"mz":123.0803,"intensity":8400},{"mz":125.0591,"intensity":9200},{"mz":125.9405,"intensity":7200},{"mz":127.0746,"intensity":2100},{"mz":127.1114,"intensity":38000},{"mz":129.0543,"intensity":32000},{"mz":133.0282,"intensity":6600},{"mz":133.0648,"intensity":17000},{"mz":135.0802,"intensity":140000},{"mz":135.1166,"intensity":8100},{"mz":137.0596,"intensity":4600},{"mz":137.0959,"intensity":100000},{"mz":139.0749,"intensity":100000},{"mz":139.1114,"intensity":150000},{"mz":143.0528,"intensity":7400},{"mz":143.0615,"intensity":7100},{"mz":143.07,"intensity":2000000},{"mz":143.0814,"intensity":17000},{"mz":145.1463,"intensity":6900},{"mz":146.9219,"intensity":80000},{"mz":147.0803,"intensity":8700},{"mz":149.0839,"intensity":15000},{"mz":149.0959,"intensity":1600000},{"mz":149.1322,"intensity":230000},{"mz":149.9357,"intensity":22000},{"mz":151.0752,"intensity":22000},{"mz":151.1114,"intensity":160000},{"mz":153.0897,"intensity":5400},{"mz":153.1271,"intensity":47000},{"mz":155.1065,"intensity":100000},{"mz":157.0858,"intensity":1100000},{"mz":157.0969,"intensity":5300},{"mz":157.1218,"intensity":21000},{"mz":161.1323,"intensity":5300},{"mz":163.0748,"intensity":11000},{"mz":163.1114,"intensity":280000},{"mz":165.0909,"intensity":210000},{"mz":165.1274,"intensity":150000},{"mz":167.1064,"intensity":270000},{"mz":167.143,"intensity":160000},{"mz":169.0859,"intensity":220000},{"mz":169.0997,"intensity":10000},{"mz":169.1221,"intensity":260000},{"mz":171.1014,"intensity":19000},{"mz":174.9543,"intensity":30000},{"mz":175.0751,"intensity":72000},{"mz":175.1114,"intensity":230000},{"mz":175.905,"intensity":4800},{"mz":177.0912,"intensity":8200},{"mz":177.1272,"intensity":140000},{"mz":179.143,"intensity":35000},{"mz":181.086,"intensity":720000},{"mz":183.0851,"intensity":9500},{"mz":183.1016,"intensity":1300000},{"mz":187.1118,"intensity":57000},{"mz":188.0436,"intensity":4600},{"mz":191.1066,"intensity":150000},{"mz":191.1433,"intensity":11000},{"mz":192.9282,"intensity":68000},{"mz":193.0693,"intensity":9800},{"mz":193.086,"intensity":1400000},{"mz":193.104,"intensity":14000},{"mz":193.1228,"intensity":15000},{"mz":193.9255,"intensity":16000},{"mz":195.1017,"intensity":850000},{"mz":197.1534,"intensity":100000},{"mz":199.0968,"intensity":56000},{"mz":201.1123,"intensity":2800000},{"mz":201.1275,"intensity":13000},{"mz":201.5049,"intensity":7900},{"mz":207.1022,"intensity":170000},{"mz":209.0979,"intensity":18000},{"mz":209.1176,"intensity":2100000},{"mz":209.1334,"intensity":10000},{"mz":209.1481,"intensity":2500},{"mz":211.0968,"intensity":2400000},{"mz":211.1129,"intensity":11000},{"mz":212.5653,"intensity":4700},{"mz":213.0915,"intensity":13000},{"mz":213.1123,"intensity":20000},{"mz":217.1591,"intensity":49000},{"mz":219.1023,"intensity":220000},{"mz":219.1748,"intensity":41000},{"mz":221.1176,"intensity":68000},{"mz":223.0954,"intensity":7000},{"mz":225.0787,"intensity":2100},{"mz":225.1126,"intensity":120000},{"mz":227.1282,"intensity":730000},{"mz":229.1078,"intensity":300000},{"mz":231.1023,"intensity":170000},{"mz":231.1223,"intensity":3100},{"mz":235.1697,"intensity":89000},{"mz":237.1129,"intensity":450000},{"mz":239.1272,"intensity":8600},{"mz":243.1235,"intensity":34000},{"mz":245.1135,"intensity":17000},{"mz":245.139,"intensity":2200000},{"mz":245.1906,"intensity":32000},{"mz":247.3484,"intensity":2100},{"mz":248.9021,"intensity":2300},{"mz":249.1127,"intensity":87000},{"mz":250.1207,"intensity":8500},{"mz":255.1238,"intensity":6200},{"mz":262.1022,"intensity":5400},{"mz":263.1659,"intensity":22000},{"mz":263.2012,"intensity":30000},{"mz":267.1229,"intensity":25000},{"mz":281.176,"intensity":52000},{"mz":287.5752,"intensity":8700},{"mz":299.238,"intensity":320000},{"mz":308.4055,"intensity":2100},{"mz":317.2493,"intensity":18000},{"mz":342.1718,"intensity":8100},{"mz":343.228,"intensity":350000},{"mz":351.2136,"intensity":4100},{"mz":356.7472,"intensity":5200},{"mz":359.2218,"intensity":8300},{"mz":361.2383,"intensity":540000},{"mz":379.2008,"intensity":3600},{"mz":379.249,"intensity":1000000},{"mz":385.296,"intensity":7400},{"mz":397.0331,"intensity":7200},{"mz":397.0587,"intensity":16000},{"mz":397.0902,"intensity":23000},{"mz":397.1207,"intensity":130000},{"mz":397.1515,"intensity":390000},{"mz":397.1732,"intensity":330000},{"mz":397.2593,"intensity":55000000},{"mz":397.3457,"intensity":310000},{"mz":397.3674,"intensity":400000},{"mz":397.3979,"intensity":110000},{"mz":397.4281,"intensity":6900},{"mz":397.459,"intensity":26000},{"mz":397.4966,"intensity":3300},{"mz":398.0911,"intensity":8800},{"mz":398.1031,"intensity":2800},{"mz":398.4393,"intensity":9700},{"mz":411.2567,"intensity":5300}]
Structure
Common name
7(RS)-ST-delta8-11-dihomo-IsoF
LMID
Systematic name
(10S,E)-7,10-dihydroxy-10-((2S,4R,5S)-4-hydroxy-5-((Z)-oct-2-en-1-yl)tetrahydrofuran-2-yl)dec-8-enoic acid
m/z
397.2598
Adduct / Ion
[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)
12.74
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
7(RS)-ST-delta8-11-dihomo-IsoF
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":58.9667,"intensity":73214},{"mz":112.9047,"intensity":49286},{"mz":140.8125,"intensity":246430},{"mz":142.975,"intensity":50000},{"mz":148.9761,"intensity":51429},{"mz":156.8609,"intensity":27500},{"mz":165.1,"intensity":6785.7143},{"mz":169.2,"intensity":11429},{"mz":180.9727,"intensity":43929},{"mz":182.9807,"intensity":64643},{"mz":189.0176,"intensity":103930},{"mz":193.0417,"intensity":77857},{"mz":195.0519,"intensity":36786},{"mz":201.0365,"intensity":177500},{"mz":209.0475,"intensity":152140},{"mz":211.0054,"intensity":187500},{"mz":216.9067,"intensity":22500},{"mz":218.8444,"intensity":8928.5714},{"mz":219.1,"intensity":13214},{"mz":220.9531,"intensity":17143},{"mz":227.1464,"intensity":68214},{"mz":229.0878,"intensity":39643},{"mz":230.9674,"intensity":30000},{"mz":232.9098,"intensity":941790},{"mz":234.9312,"intensity":8928.5714},{"mz":237.1629,"intensity":53571},{"mz":245.06,"intensity":245360},{"mz":248.7,"intensity":6428.5714},{"mz":249.0273,"intensity":10714},{"mz":252.7,"intensity":4285.7143},{"mz":254.5714,"intensity":5357.1429},{"mz":254.9,"intensity":16786},{"mz":255.1,"intensity":21071},{"mz":265,"intensity":3571.4286},{"mz":268.9,"intensity":8214.2857},{"mz":271.2,"intensity":3928.5714},{"mz":272.9,"intensity":22500},{"mz":273.2214,"intensity":15000},{"mz":281.0133,"intensity":9285.7143},{"mz":292.9357,"intensity":21786},{"mz":299.1807,"intensity":63214},{"mz":316.9923,"intensity":21429},{"mz":337.0588,"intensity":18929},{"mz":343.2302,"intensity":51429},{"mz":356.8222,"intensity":16071},{"mz":361.2133,"intensity":63929},{"mz":377.2,"intensity":3571.4286},{"mz":379.2144,"intensity":110710},{"mz":397.2317,"intensity":2445000}]
Structure
Common name
7(RS)-ST-delta8-11-dihomo-IsoF
LMID
Systematic name
(10S,E)-7,10-dihydroxy-10-((2S,4R,5S)-4-hydroxy-5-((Z)-oct-2-en-1-yl)tetrahydrofuran-2-yl)dec-8-enoic acid
m/z
397.3
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)
10.25
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
7(RS)-ST-delta8-11-dihomo-IsoF
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":58.8125,"intensity":6666.6667},{"mz":68.95,"intensity":952.381},{"mz":85.1,"intensity":952.381},{"mz":94.5,"intensity":1904.7619},{"mz":95,"intensity":1904.7619},{"mz":95.4,"intensity":952.381},{"mz":96.9,"intensity":1904.7619},{"mz":98.7,"intensity":1428.5714},{"mz":110.7,"intensity":1428.5714},{"mz":112.9393,"intensity":36190},{"mz":116.5,"intensity":952.381},{"mz":135.1,"intensity":1428.5714},{"mz":138.8,"intensity":4285.7143},{"mz":139.15,"intensity":952.381},{"mz":140.9,"intensity":19048},{"mz":142.9542,"intensity":22381},{"mz":146.8,"intensity":2380.9524},{"mz":148.9963,"intensity":20476},{"mz":151.25,"intensity":952.381},{"mz":152.8,"intensity":1428.5714},{"mz":153,"intensity":952.381},{"mz":156.425,"intensity":1428.5714},{"mz":156.9,"intensity":16190},{"mz":160.3,"intensity":1428.5714},{"mz":160.7,"intensity":1428.5714},{"mz":160.9667,"intensity":2857.1429},{"mz":163.15,"intensity":2857.1429},{"mz":164.8,"intensity":4285.7143},{"mz":165,"intensity":1428.5714},{"mz":165.25,"intensity":952.381},{"mz":167.1,"intensity":6190.4762},{"mz":167.4,"intensity":3333.3333},{"mz":168.8,"intensity":2380.9524},{"mz":169.2133,"intensity":10000},{"mz":171.1,"intensity":1428.5714},{"mz":172.3,"intensity":1428.5714},{"mz":173.0583,"intensity":7142.8571},{"mz":173.3,"intensity":2857.1429},{"mz":174.5,"intensity":1428.5714},{"mz":174.875,"intensity":5238.0952},{"mz":177.2,"intensity":2857.1429},{"mz":178.6,"intensity":952.381},{"mz":179,"intensity":1428.5714},{"mz":180.8,"intensity":9523.8095},{"mz":181.1,"intensity":3809.5238},{"mz":181.4,"intensity":2857.1429},{"mz":182.7,"intensity":31905},{"mz":183.2556,"intensity":13333},{"mz":184.7,"intensity":952.381},{"mz":186.8,"intensity":2380.9524},{"mz":188.5,"intensity":1904.7619},{"mz":188.9,"intensity":4285.7143},{"mz":189.1,"intensity":7142.8571},{"mz":190.8,"intensity":1904.7619},{"mz":191.1833,"intensity":3809.5238},{"mz":192.9258,"intensity":31429},{"mz":194.9182,"intensity":28095},{"mz":195.5,"intensity":1904.7619},{"mz":195.8,"intensity":952.381},{"mz":196.7,"intensity":1428.5714},{"mz":196.9,"intensity":1904.7619},{"mz":198.7,"intensity":952.381},{"mz":199.1,"intensity":2380.9524},{"mz":201.0372,"intensity":105240},{"mz":204.6,"intensity":1428.5714},{"mz":205,"intensity":1904.7619},{"mz":205.2,"intensity":2857.1429},{"mz":206.6,"intensity":1904.7619},{"mz":207.0667,"intensity":3809.5238},{"mz":209.0567,"intensity":64286},{"mz":211.002,"intensity":76667},{"mz":213.0286,"intensity":10952},{"mz":215,"intensity":3809.5238},{"mz":215.5,"intensity":952.381},{"mz":216.9479,"intensity":216190},{"mz":219.3,"intensity":3809.5238},{"mz":220.9,"intensity":9047.619},{"mz":221.2,"intensity":1904.7619},{"mz":224.7,"intensity":3809.5238},{"mz":225.2,"intensity":3333.3333},{"mz":226.72,"intensity":4285.7143},{"mz":227.2222,"intensity":27143},{"mz":228.5,"intensity":1428.5714},{"mz":228.8143,"intensity":11905},{"mz":230.8,"intensity":3333.3333},{"mz":231.12,"intensity":3333.3333},{"mz":232.9185,"intensity":100480},{"mz":234.1,"intensity":1428.5714},{"mz":234.9,"intensity":1904.7619},{"mz":235.1,"intensity":1904.7619},{"mz":235.3,"intensity":2857.1429},{"mz":236.82,"intensity":6190.4762},{"mz":237.1,"intensity":3809.5238},{"mz":237.3,"intensity":5238.0952},{"mz":238.65,"intensity":5238.0952},{"mz":239.5,"intensity":1428.5714},{"mz":239.75,"intensity":1428.5714},{"mz":241,"intensity":952.381},{"mz":242.9,"intensity":1904.7619},{"mz":243.2,"intensity":1904.7619},{"mz":244.8735,"intensity":45238},{"mz":245.3767,"intensity":10952},{"mz":245.6,"intensity":3333.3333},{"mz":246.85,"intensity":1428.5714},{"mz":248.7,"intensity":2380.9524},{"mz":248.9,"intensity":4285.7143},{"mz":251,"intensity":952.381},{"mz":251.4,"intensity":952.381},{"mz":252.8353,"intensity":10952},{"mz":253.2,"intensity":4285.7143},{"mz":253.4,"intensity":1904.7619},{"mz":254.5833,"intensity":10000},{"mz":255.05,"intensity":45238},{"mz":255.9,"intensity":1428.5714},{"mz":256.9,"intensity":2857.1429},{"mz":257.1,"intensity":1428.5714},{"mz":260.5,"intensity":952.381},{"mz":261.2,"intensity":2380.9524},{"mz":262.8,"intensity":952.381},{"mz":263.1,"intensity":2380.9524},{"mz":264.75,"intensity":1428.5714},{"mz":265.2,"intensity":1428.5714},{"mz":268.5,"intensity":1904.7619},{"mz":268.9167,"intensity":3809.5238},{"mz":269.225,"intensity":1428.5714},{"mz":271,"intensity":2857.1429},{"mz":271.3,"intensity":1428.5714},{"mz":271.98,"intensity":13333},{"mz":272.3,"intensity":1428.5714},{"mz":272.6,"intensity":1428.5714},{"mz":272.8286,"intensity":7619.0476},{"mz":274.425,"intensity":3333.3333},{"mz":274.8,"intensity":1904.7619},{"mz":275.15,"intensity":952.381},{"mz":276.8053,"intensity":27143},{"mz":282.7,"intensity":1428.5714},{"mz":284.5,"intensity":1428.5714},{"mz":284.7,"intensity":1904.7619},{"mz":285.1,"intensity":2380.9524},{"mz":286.9,"intensity":1428.5714},{"mz":288.7,"intensity":2380.9524},{"mz":290.8,"intensity":1428.5714},{"mz":291.9,"intensity":952.381},{"mz":292.5,"intensity":1904.7619},{"mz":293.1,"intensity":5238.0952},{"mz":294.93,"intensity":3333.3333},{"mz":295.3,"intensity":2857.1429},{"mz":296.4,"intensity":1904.7619},{"mz":296.6,"intensity":1904.7619},{"mz":297.03,"intensity":12381},{"mz":299.0059,"intensity":17619},{"mz":299.4833,"intensity":2380.9524},{"mz":302.9,"intensity":952.381},{"mz":308.8,"intensity":1904.7619},{"mz":312.5,"intensity":2380.9524},{"mz":313.2,"intensity":2857.1429},{"mz":314.2,"intensity":1428.5714},{"mz":315.1333,"intensity":10952},{"mz":315.9,"intensity":5238.0952},{"mz":316.6,"intensity":1904.7619},{"mz":317.1308,"intensity":10000},{"mz":317.8,"intensity":952.381},{"mz":318.5,"intensity":952.381},{"mz":319.1,"intensity":2380.9524},{"mz":333.125,"intensity":1428.5714},{"mz":334,"intensity":1428.5714},{"mz":336.3,"intensity":952.381},{"mz":336.84,"intensity":3333.3333},{"mz":337.0571,"intensity":12857},{"mz":337.775,"intensity":1428.5714},{"mz":338.3,"intensity":952.381},{"mz":342.8,"intensity":2857.1429},{"mz":343.2,"intensity":6190.4762},{"mz":343.4,"intensity":1904.7619},{"mz":357.3,"intensity":2380.9524},{"mz":361.0667,"intensity":5238.0952},{"mz":361.4833,"intensity":2857.1429},{"mz":376.8,"intensity":952.381},{"mz":378.9,"intensity":3333.3333},{"mz":379.1,"intensity":8095.2381},{"mz":379.4,"intensity":4285.7143},{"mz":397.2403,"intensity":427620}]
Structure
Common name
7(RS)-ST-delta8-11-dihomo-IsoF
LMID
Systematic name
(10S,E)-7,10-dihydroxy-10-((2S,4R,5S)-4-hydroxy-5-((Z)-oct-2-en-1-yl)tetrahydrofuran-2-yl)dec-8-enoic acid
m/z
397.3
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)
10.25
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