Common Name
LM ID
Instrument
Adduct / Ion
Submitter
16-F1t-PhytoP
Thermo Scientific Q Exactive Focus Orbitrap LC-MS/MS System
[M-H]-
Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand
[{"mz":51.4748,"intensity":2800},{"mz":53.8559,"intensity":3800},{"mz":54.2172,"intensity":4500},{"mz":56.2209,"intensity":3300},{"mz":57.0334,"intensity":19000},{"mz":57.9213,"intensity":6800},{"mz":59.0124,"intensity":37000},{"mz":60.2027,"intensity":4100},{"mz":61.8063,"intensity":3500},{"mz":63.1467,"intensity":5900},{"mz":63.4652,"intensity":6600},{"mz":64.7935,"intensity":3300},{"mz":66.2952,"intensity":1800},{"mz":67.8585,"intensity":3900},{"mz":68.0162,"intensity":7200},{"mz":69,"intensity":3300},{"mz":70.798,"intensity":41000},{"mz":71.0123,"intensity":320000},{"mz":71.049,"intensity":28000},{"mz":76.0023,"intensity":20000},{"mz":79.7894,"intensity":3500},{"mz":81.8044,"intensity":81000},{"mz":82.9194,"intensity":6400},{"mz":83.049,"intensity":7100},{"mz":84.5564,"intensity":4100},{"mz":85.0647,"intensity":5700},{"mz":86.544,"intensity":3800},{"mz":87.0075,"intensity":15000},{"mz":87.2249,"intensity":7500},{"mz":88.2973,"intensity":2400},{"mz":91.0319,"intensity":7200},{"mz":92.2746,"intensity":25000},{"mz":97.0648,"intensity":10000},{"mz":98.8683,"intensity":4300},{"mz":99.0438,"intensity":2900},{"mz":101.3708,"intensity":4700},{"mz":101.7306,"intensity":6300},{"mz":102.9475,"intensity":19000},{"mz":111.0803,"intensity":35000},{"mz":116.9273,"intensity":33000},{"mz":118.5645,"intensity":4500},{"mz":122.928,"intensity":1800},{"mz":125.096,"intensity":2200},{"mz":127.1115,"intensity":150000},{"mz":127.9093,"intensity":6400},{"mz":130.6392,"intensity":4500},{"mz":139.0756,"intensity":5500},{"mz":139.8861,"intensity":8000},{"mz":146.9374,"intensity":41000},{"mz":146.9601,"intensity":43000},{"mz":151.1118,"intensity":130000},{"mz":152.8371,"intensity":4700},{"mz":153.1274,"intensity":41000},{"mz":160.7264,"intensity":6600},{"mz":165.1276,"intensity":19000},{"mz":169.3371,"intensity":7700},{"mz":170.452,"intensity":8100},{"mz":174.9551,"intensity":240000},{"mz":177.1271,"intensity":50000},{"mz":178.9767,"intensity":2300},{"mz":179.1433,"intensity":1800},{"mz":181.159,"intensity":95000},{"mz":185.1176,"intensity":75000},{"mz":189.1657,"intensity":6300},{"mz":190.8514,"intensity":2600},{"mz":191.9454,"intensity":2600},{"mz":195.1385,"intensity":36000},{"mz":197.1167,"intensity":4500},{"mz":197.1539,"intensity":180000},{"mz":197.1698,"intensity":7400},{"mz":200.8795,"intensity":2000},{"mz":203.1799,"intensity":7900},{"mz":206.3096,"intensity":2000},{"mz":207.1382,"intensity":61000},{"mz":207.1752,"intensity":150000},{"mz":208.391,"intensity":4400},{"mz":211.1331,"intensity":14000},{"mz":213.0064,"intensity":3800},{"mz":213.2516,"intensity":6300},{"mz":219.1385,"intensity":120000},{"mz":221.1906,"intensity":330000},{"mz":223.1696,"intensity":350000},{"mz":225.1491,"intensity":3100000},{"mz":225.1812,"intensity":10000},{"mz":229.1957,"intensity":140000},{"mz":232.1146,"intensity":4600},{"mz":233.1543,"intensity":1500000},{"mz":235.1697,"intensity":370000},{"mz":237.1496,"intensity":32000},{"mz":237.1687,"intensity":6100},{"mz":237.1856,"intensity":910000},{"mz":237.2066,"intensity":9300},{"mz":243.3958,"intensity":7400},{"mz":247.1439,"intensity":1900},{"mz":247.1504,"intensity":7000},{"mz":247.1701,"intensity":710000},{"mz":247.2063,"intensity":230000},{"mz":251.1651,"intensity":3000000},{"mz":251.1852,"intensity":17000},{"mz":251.1928,"intensity":6900},{"mz":253.1789,"intensity":6400},{"mz":255.1963,"intensity":220000},{"mz":255.3469,"intensity":8600},{"mz":259.1205,"intensity":9700},{"mz":261.185,"intensity":4800},{"mz":263.1633,"intensity":9600},{"mz":263.1712,"intensity":28000},{"mz":263.2015,"intensity":710000},{"mz":263.2275,"intensity":8800},{"mz":265.1222,"intensity":14000},{"mz":265.1809,"intensity":8300000},{"mz":265.2027,"intensity":17000},{"mz":265.2109,"intensity":160000},{"mz":265.2247,"intensity":67000},{"mz":265.2407,"intensity":5800},{"mz":269.1759,"intensity":530000},{"mz":273.1564,"intensity":7800},{"mz":273.1861,"intensity":2700000},{"mz":281.2111,"intensity":31000},{"mz":283.1261,"intensity":88000},{"mz":283.1408,"intensity":46000},{"mz":283.1914,"intensity":20000000},{"mz":283.2433,"intensity":34000},{"mz":283.2562,"intensity":98000},{"mz":289.1802,"intensity":47000},{"mz":291.1631,"intensity":17000},{"mz":291.1966,"intensity":4700000},{"mz":291.2306,"intensity":9800},{"mz":309.1706,"intensity":41000},{"mz":309.2071,"intensity":3000000},{"mz":309.244,"intensity":27000},{"mz":327.1134,"intensity":19000},{"mz":327.1368,"intensity":200000},{"mz":327.1534,"intensity":150000},{"mz":327.2176,"intensity":32000000},{"mz":327.2819,"intensity":140000},{"mz":327.2981,"intensity":230000},{"mz":327.3205,"intensity":54000},{"mz":327.3431,"intensity":6700},{"mz":328.2228,"intensity":2400}]
Structure
Common name
16-F1t-PhytoP
LMID
Systematic name
8-((1S,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid
m/z
327.2179
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)
7.26
Amount injected
5μl
DOI for method
Date acquired
October 2023
Submitters
Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand
Source of standard
Cayman
16-F1t-PhytoP
Thermo Fisher Orbitrap ID-X Tribrid
[M-H]-
Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand
[{"mz":49.6423,"intensity":37561.277344},{"mz":50.6972,"intensity":33368.621094},{"mz":57.0346,"intensity":97537.085938},{"mz":58.8125,"intensity":41513.734375},{"mz":59.0139,"intensity":76333.085938},{"mz":59.6569,"intensity":42237.4375},{"mz":63.901,"intensity":38022.714844},{"mz":65.5638,"intensity":36564.507812},{"mz":71.0138,"intensity":310510.15625},{"mz":71.0502,"intensity":76709.226562},{"mz":73.0295,"intensity":64300.300781},{"mz":82.3028,"intensity":38073.183594},{"mz":83.0502,"intensity":56325.066406},{"mz":85.0658,"intensity":55190.558594},{"mz":88.2753,"intensity":44454.347656},{"mz":91.6237,"intensity":36305.835938},{"mz":97.0656,"intensity":52673.289062},{"mz":99.5348,"intensity":40963.609375},{"mz":103.1826,"intensity":39196.167969},{"mz":109.2271,"intensity":38951.703125},{"mz":125.0972,"intensity":108676.53125},{"mz":125.3452,"intensity":38846.269531},{"mz":127.0765,"intensity":77345.226562},{"mz":127.1128,"intensity":249648.171875},{"mz":139.0764,"intensity":49689.355469},{"mz":139.1131,"intensity":47154.660156},{"mz":141.1287,"intensity":56099.378906},{"mz":151.1128,"intensity":458411.78125},{"mz":153.1283,"intensity":184860.53125},{"mz":164.0252,"intensity":41421.519531},{"mz":167.1441,"intensity":45226.5625},{"mz":168.4499,"intensity":43331.871094},{"mz":173.4695,"intensity":197382.078125},{"mz":175.1495,"intensity":44882.121094},{"mz":177.1288,"intensity":92049.796875},{"mz":179.1443,"intensity":60759.890625},{"mz":181.16,"intensity":315141.1875},{"mz":185.1183,"intensity":431279.125},{"mz":195.139,"intensity":64131.300781},{"mz":197.1184,"intensity":92808.828125},{"mz":197.1547,"intensity":543575.8125},{"mz":203.1804,"intensity":105830.007812},{"mz":207.139,"intensity":234232.46875},{"mz":219.1752,"intensity":55078.207031},{"mz":221.191,"intensity":327273.96875},{"mz":223.1704,"intensity":294019.71875},{"mz":225.1496,"intensity":3377911.5},{"mz":229.1961,"intensity":92968.28125},{"mz":233.1546,"intensity":572988.8125},{"mz":235.1703,"intensity":235659.5},{"mz":237.1861,"intensity":1299660.625},{"mz":247.1704,"intensity":528545.75},{"mz":247.207,"intensity":84887.882812},{"mz":251.1653,"intensity":694421.5},{"mz":255.1967,"intensity":312053.5},{"mz":263.2016,"intensity":261218.796875},{"mz":265.181,"intensity":3320280},{"mz":269.1761,"intensity":76210.679688},{"mz":273.186,"intensity":650735},{"mz":283.1914,"intensity":4501786.5},{"mz":289.1474,"intensity":36542.976562},{"mz":291.1965,"intensity":925623.875},{"mz":309.2071,"intensity":779808.9375},{"mz":327.2177,"intensity":21056666}]
Structure
Common name
16-F1t-PhytoP
LMID
Systematic name
8-((1S,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid
m/z
327.2177
Adduct / Ion
[M-H]-
Charge
-1
Ion source
ESI
Instrument
Thermo Fisher Orbitrap ID-X Tribrid
Resolution
60000
For high resolution data only
Ion mode
Negative
Collision Energy (CE)
stepped HCD collision energy 20–40–60%
Column
N/A
Mobile phase A
N/A
Mobile phase B
N/A
Retention time (min)
N/A
Amount injected
10 µL
DOI for method
Date acquired
October 2023
Submitters
Jean-Marie Galano.Ángel Sánchez Illana.Thierry Durand
Source of standard
Synthesized in-house
[{"mz":56.63,"intensity":3228},{"mz":58.68,"intensity":21820},{"mz":67.03,"intensity":508},{"mz":70.97,"intensity":60690},{"mz":78.76,"intensity":2168},{"mz":80.75,"intensity":18250},{"mz":82.98,"intensity":15710},{"mz":84.55,"intensity":8684},{"mz":85.19,"intensity":5567},{"mz":92.84,"intensity":2758},{"mz":95.28,"intensity":8382},{"mz":97.12,"intensity":8510},{"mz":98.57,"intensity":4951},{"mz":106.59,"intensity":4421},{"mz":107.37,"intensity":4853},{"mz":108.73,"intensity":10700},{"mz":111.07,"intensity":30790},{"mz":112.89,"intensity":7158},{"mz":120.34,"intensity":5251},{"mz":121.16,"intensity":13740},{"mz":122.52,"intensity":2038},{"mz":124.93,"intensity":12000},{"mz":127.06,"intensity":122100},{"mz":133.1,"intensity":2494},{"mz":134.87,"intensity":12500},{"mz":138.7,"intensity":8079},{"mz":139.3,"intensity":19220},{"mz":140.22,"intensity":1526},{"mz":140.93,"intensity":12590},{"mz":143.3,"intensity":2565},{"mz":146.95,"intensity":9274},{"mz":148.98,"intensity":10960},{"mz":151.11,"intensity":81820},{"mz":153.1,"intensity":35510},{"mz":163.26,"intensity":9642},{"mz":165.1,"intensity":9746},{"mz":165.69,"intensity":4737},{"mz":166.82,"intensity":15020},{"mz":168.65,"intensity":154},{"mz":170.55,"intensity":1553},{"mz":171.14,"intensity":16160},{"mz":173.59,"intensity":6686},{"mz":175.02,"intensity":41820},{"mz":176.95,"intensity":55980},{"mz":178.73,"intensity":32340},{"mz":180.9,"intensity":73660},{"mz":184.54,"intensity":2793},{"mz":185.12,"intensity":54220},{"mz":187.13,"intensity":1772},{"mz":189.1,"intensity":13410},{"mz":191.21,"intensity":25940},{"mz":191.93,"intensity":16400},{"mz":197.08,"intensity":155400},{"mz":202.54,"intensity":12640},{"mz":203.13,"intensity":6446},{"mz":204.93,"intensity":16190},{"mz":206.65,"intensity":22700},{"mz":207.18,"intensity":55850},{"mz":209.29,"intensity":4859},{"mz":210.95,"intensity":26060},{"mz":211.61,"intensity":5624},{"mz":214.85,"intensity":21100},{"mz":216.59,"intensity":6006},{"mz":217.25,"intensity":1571},{"mz":219.06,"intensity":70070},{"mz":219.72,"intensity":2674},{"mz":221.1,"intensity":224600},{"mz":223.11,"intensity":178900},{"mz":225,"intensity":1340000},{"mz":226.79,"intensity":6197},{"mz":228.07,"intensity":2102},{"mz":229.06,"intensity":135800},{"mz":231.49,"intensity":3685},{"mz":232.98,"intensity":1095000},{"mz":235.03,"intensity":253000},{"mz":237.1,"intensity":437800},{"mz":245.12,"intensity":14190},{"mz":247.03,"intensity":643100},{"mz":251.03,"intensity":1776000},{"mz":252.91,"intensity":15830},{"mz":254.98,"intensity":149600},{"mz":261.53,"intensity":8087},{"mz":263.01,"intensity":661800},{"mz":265.01,"intensity":5019000},{"mz":267.53,"intensity":1845},{"mz":268.47,"intensity":10350},{"mz":268.97,"intensity":319600},{"mz":270.98,"intensity":3798},{"mz":272.97,"intensity":2577000},{"mz":278.55,"intensity":1766},{"mz":281.21,"intensity":66500},{"mz":283,"intensity":11880000},{"mz":288.95,"intensity":50980},{"mz":290.96,"intensity":3556000},{"mz":297.02,"intensity":7577},{"mz":307.39,"intensity":4678},{"mz":308.97,"intensity":2358000},{"mz":327.02,"intensity":42060000}]
Structure
Common name
16-F1t-PhytoP
LMID
Systematic name
8-((1S,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxypent-1-en-1-yl)cyclopentyl)octanoic acid
m/z
327.2
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)
1.3
Amount injected
0.25 ng
DOI for method
Date acquired
March 2025
Submitters
Wheelock/Hagn
Source of standard
Université de Montpellier (Durand/Galano/Oger)