************************************************************************ MS Workstation - Method Listing Method: Osmia-biconis.mth ************************************************************************ Security Options Required: EI Mass Data Type: CENTROID Method Start Time: 0.00 minutes Number Of Segments: 2 Segment Number 1: Description: FIL/MUL DELAY Emission Current: 10 microamps Mass Defect: 0 mmu/100u Count Threshold: 1 counts Multiplier Offset: 0 volts Cal Gas: OFF Scan Time: 1.000 seconds Segment Start Time: 0.00 minutes Segment End Time: 4.00 minutes Segment Low Mass: 40 m/z Segment High Mass: 650 m/z Ionization Mode: NONE Ion Preparation Technique: NONE No Ionization Mode. No Ion Preparation. Segment Number 2: Description: Measurement Emission Current: 10 microamps Mass Defect: 0 mmu/100u Count Threshold: 1 counts Multiplier Offset: 0 volts Cal Gas: OFF Scan Time: 1.000 seconds Segment Start Time: 4.00 minutes Segment End Time: 30.00 minutes Segment Low Mass: 40 m/z Segment High Mass: 650 m/z Ionization Mode: EI AGC Ion Preparation Technique: NONE EI-Auto Mode: Maximum Ionization Time: 25000 microseconds Mass Range Ion. Storage Level Ion. Time Factor ---------- ------------------ ---------------- Scan Segment 1: 10 to 99 35.0 m/z 100% Scan Segment 2: 100 to 249 35.0 m/z 100% Scan Segment 3: 250 to 399 35.0 m/z 100% Scan Segment 4: 400 to 650 35.0 m/z 100% Target TIC: 20000 counts Prescan Ionization Time: 100 microseconds Background Mass: 45 m/z RF Dump Value: 650.0 m/z No Ion Preparation. ********************** 3900 GC ********************** Module Address: 44 Injector Type: 1177 Column Type: VF 5ms column (30 m × 0.25 mm × 0.25 µm), Varian ------------------ Oven Power: On Temperature: 220 C Time Split Split (min) State Ratio ---------------------- Initial On 10 0.01 Off Off 1.10 On 100 3.00 On 20 Injector EFC Type 1 ------------------- Constant Column Flow: 1.0 ml/min Pressure Pulse: none Column Oven ----------- Stabilization Time: 0.50 min Temp Rate Hold Total (C) (C/min) (min) (min) -------------------------------- 100 0.0 1.00 1.00 200 20.0 1.00 7.00 300 5.0 3.00 30.00 ********************** Datahandling Method Section Address 40 ********************** Calculations Setup ----------------------------------- General ------- Measurement Type : Area Calibration Type : Internal Std Unretained Peak Time : 0.000 min Ion Ratio Type : Absolute Qualifier Integration : Quan Ion Points Report Missing Peaks : Yes Report Unknown Peaks : Yes Normalize Results : No Ignore Calibration Data : No Scale Air Flow Samples : No Chromatogram Processing ----------------------- Integration Quan Ions : RIC Scan Channels : Merged Smooth Chromatogram : No Remove Spikes : No Initial Peak Width : 4.0 sec Slope Sensitivity : 20 Initial Peak Reject Value : 2000 counts Initial Tangent Height % : 10% Time Events Table Time Event/Time Time Events Table Empty Tentative Identification Library Search : No Results Calculation And Reporting RF To Use : Absolute: 1.000 Reporting Threshold : All Exclude Duplicates : Yes Results Treatment ----------------------------------- Calibration Results ------------------- Replicates Addition Mode : Append Replicates Addition Rule : Always add new replicates Update Cmpd Table Params : Retention Time : No Reference Spectrum : No Target Ion Ratios : No Analysis Results ---------------- Calibration Range Tolerance : 20.0% Out-of-Tolerance Action : No Action Verification Results -------------------- Deviation Tolerance : 100.0% Out-of-Tolerance Action : No Action Compound Table -------------------------------------- Entry Number : 1 ------------ Compound Name : 7-C16:1-EE CAS Number : Attributes : Time: 9.973 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 236.0+283.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 237.2 Ratio: 23.6 Abs %Uncert: 20.0 L%: 3.6 H%: 43.6 Qualifier 2 : Ion: 55.0 Ratio: 3.3 Abs %Uncert: 20.0 L%: 0.1 H%: 23.3 Qualifier 3 : Ion: 95.1 Ratio: 14.3 Abs %Uncert: 20.0 L%: 0.1 H%: 34.3 Qualifier 4 : Ion: 96.1 Ratio: 9.2 Abs %Uncert: 20.0 L%: 0.1 H%: 29.2 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.247 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 300 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 576; 55.0 675; 67.0 411; 81.0 666; : 83.0 425; 95.1 643; 96.1 591; 97.0 371; : 101.0 465; 109.0 373; 110.0 437; 123.0 380; : 155.0 350; 236.1 642; 237.2 575; 283.0 999; Entry Number : 2 ------------ Compound Name : C21:0 CAS Number : Attributes : Time: 11.651 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 57.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 90.0 Abs %Uncert: 20.0 L%: 70.0 H%: 110.0 Qualifier 2 : Ion: 41.0 Ratio: 64.2 Abs %Uncert: 20.0 L%: 44.2 H%: 84.2 Qualifier 3 : Ion: 85.0 Ratio: 61.3 Abs %Uncert: 20.0 L%: 41.3 H%: 81.3 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 500 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 673; 42.0 68; 43.0 537; 55.0 236; : 56.0 126; 57.0 999; 67.0 58; 69.0 167; : 70.0 164; 71.0 885; 82.0 65; 83.0 141; : 85.0 608; 96.0 65; 97.0 157; 111.0 99; Entry Number : 3 ------------ Compound Name : 9-C18:1-OOH CAS Number : Attributes : Time: 12.167 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 67.2 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 81.2 Ratio: 66.9 Abs %Uncert: 20.0 L%: 46.9 H%: 86.9 Qualifier 2 : Ion: 95.1 Ratio: 48.7 Abs %Uncert: 20.0 L%: 28.7 H%: 68.7 Qualifier 3 : Ion: 97.0 Ratio: 41.3 Abs %Uncert: 20.0 L%: 21.3 H%: 61.3 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.500 min Integration : WI: 20.0 SS: 10 T%: 5 Peak Rej: 500 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 521; 43.1 223; 55.0 501; 67.2 999; : 69.0 332; 79.0 501; 80.2 243; 81.2 813; : 82.1 301; 83.0 334; 93.1 304; 94.2 230; : 95.1 714; 96.0 276; 97.0 329; 109.1 257; Entry Number : 4 ------------ Compound Name : 9-C18:1-EE CAS Number : Attributes : Time: 12.558 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 264.0+265.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 55.0 Ratio: 133.4 Abs %Uncert: 20.0 L%: 113.4 H%: 153.4 Qualifier 2 : Ion: 41.0 Ratio: 93.6 Abs %Uncert: 20.0 L%: 73.6 H%: 113.6 Qualifier 3 : Ion: 69.0 Ratio: 76.6 Abs %Uncert: 20.0 L%: 56.6 H%: 96.6 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 300 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 710; 43.0 317; 55.0 999; 67.0 539; : 69.0 657; 81.0 578; 83.0 644; 84.0 342; : 95.1 405; 95.9 440; 97.0 498; 98.0 453; : 100.9 335; 155.0 322; 264.2 408; 265.3 355; Entry Number : 5 ------------ Compound Name : C22:0 CAS Number : Attributes : Time: 13.024 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 57.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 98.0 Abs %Uncert: 20.0 L%: 78.0 H%: 118.0 Qualifier 2 : Ion: 85.0 Ratio: 72.2 Abs %Uncert: 20.0 L%: 52.2 H%: 92.2 Qualifier 3 : Ion: 41.0 Ratio: 72.3 Abs %Uncert: 20.0 L%: 52.3 H%: 92.3 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 300 Time Events Table : Time Event/Time S/N Ratio : 13.5693 5 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 572; 43.0 452; 55.0 173; 56.0 161; : 57.0 996; 67.0 92; 69.0 161; 70.0 166; : 71.0 999; 83.0 163; 84.0 128; 85.0 718; : 97.0 209; 98.7 103; 111.0 133; 429.1 156; Entry Number : 6 ------------ Compound Name : 9-C23:1 CAS Number : Attributes : Time: 14.078 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 55.0 Ratio: 95.6 Abs %Uncert: 20.0 L%: 75.6 H%: 115.6 Qualifier 2 : Ion: 83.0 Ratio: 86.5 Abs %Uncert: 20.0 L%: 66.5 H%: 106.5 Qualifier 3 : Ion: 69.0 Ratio: 83.4 Abs %Uncert: 20.0 L%: 63.4 H%: 103.4 Qualifier 4 : Ion: 111.0 Ratio: 54.4 Abs %Uncert: 20.0 L%: 34.4 H%: 74.4 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 15 T%: 10 Peak Rej: 500 Time Events Table : Time Event/Time Horizontal Forward : 14.7524 until 15.0726 S/N Ratio : 14.7313 5 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 803; 43.0 406; 55.0 919; 56.0 310; : 57.0 626; 67.0 380; 69.0 835; 70.0 403; : 71.0 342; 81.0 275; 82.0 239; 83.0 857; : 85.0 213; 96.0 242; 97.0 999; 111.0 564; Entry Number : 7 ------------ Compound Name : 7-C23:1 CAS Number : Attributes : Time: 14.171 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 82.5 Abs %Uncert: 20.0 L%: 62.5 H%: 102.5 Qualifier 2 : Ion: 55.0 Ratio: 81.6 Abs %Uncert: 20.0 L%: 61.6 H%: 101.6 Qualifier 3 : Ion: 69.0 Ratio: 71.5 Abs %Uncert: 20.0 L%: 51.5 H%: 91.5 Qualifier 4 : Ion: 111.0 Ratio: 54.8 Abs %Uncert: 20.0 L%: 34.8 H%: 74.8 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.100 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 500 Time Events Table : Time Event/Time S/N Ratio : 14.7748 5 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 787; 43.0 439; 55.0 913; 56.0 362; : 57.0 668; 67.0 389; 69.0 768; 70.0 383; : 70.9 398; 81.1 341; 81.9 268; 83.0 963; : 84.9 238; 96.1 244; 97.0 999; 111.0 597; Entry Number : 8 ------------ Compound Name : C23:0 CAS Number : Attributes : Time: 14.471 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 57.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 98.8 Abs %Uncert: 20.0 L%: 78.8 H%: 118.8 Qualifier 2 : Ion: 85.0 Ratio: 72.1 Abs %Uncert: 20.0 L%: 52.1 H%: 92.1 Qualifier 3 : Ion: 69.0 Ratio: 18.7 Abs %Uncert: 20.0 L%: 0.1 H%: 38.7 Qualifier 4 : Ion: 83.0 Ratio: 18.0 Abs %Uncert: 20.0 L%: 0.1 H%: 38.0 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 20 T%: 10 Peak Rej: 500 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 549; 42.9 453; 55.0 217; 56.2 126; : 57.0 999; 67.0 76; 69.0 193; 70.0 190; : 71.0 991; 83.0 182; 85.0 728; 95.9 104; : 96.8 241; 98.0 102; 98.8 118; 111.0 129; Entry Number : 9 ------------ Compound Name : 9-C24:1 CAS Number : Attributes : Time: 15.532 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 69.0 Ratio: 75.1 Abs %Uncert: 20.0 L%: 55.1 H%: 95.1 Qualifier 2 : Ion: 83.0 Ratio: 79.2 Abs %Uncert: 20.0 L%: 59.2 H%: 99.2 Qualifier 3 : Ion: 55.0 Ratio: 71.5 Abs %Uncert: 20.0 L%: 51.5 H%: 91.5 Qualifier 4 : Ion: 111.0 Ratio: 54.8 Abs %Uncert: 20.0 L%: 34.8 H%: 74.8 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 500 Time Events Table : Time Event/Time S/N Ratio : 16.2591 5 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 797; 43.0 336; 55.0 790; 56.0 254; : 57.0 589; 67.1 411; 69.0 824; 70.0 334; : 70.9 351; 81.1 273; 82.0 265; 83.0 815; : 84.9 222; 96.0 269; 97.0 999; 111.0 543; Entry Number : 10 ------------ Compound Name : 7-C24:1 CAS Number : Attributes : Time: 15.639 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 57.0 Ratio: 76.2 Abs %Uncert: 20.0 L%: 56.2 H%: 96.2 Qualifier 2 : Ion: 83.0 Ratio: 71.1 Abs %Uncert: 20.0 L%: 51.1 H%: 91.1 Qualifier 3 : Ion: 69.0 Ratio: 67.4 Abs %Uncert: 20.0 L%: 47.4 H%: 87.4 Qualifier 4 : Ion: 111.0 Ratio: 54.8 Abs %Uncert: 20.0 L%: 34.8 H%: 74.8 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 5 T%: 2 Peak Rej: 200 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 925; 42.9 481; 55.0 754; 56.0 361; : 57.0 973; 67.0 301; 69.0 856; 70.0 313; : 71.0 681; 81.1 242; 83.0 919; 85.0 447; : 95.9 285; 97.0 999; 111.0 570; 124.8 239; Entry Number : 11 ------------ Compound Name : C24:0 CAS Number : Attributes : Time: 15.921 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 57.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 91.0 Abs %Uncert: 20.0 L%: 71.0 H%: 111.0 Qualifier 2 : Ion: 85.0 Ratio: 67.4 Abs %Uncert: 20.0 L%: 47.4 H%: 87.4 Qualifier 3 : Ion: 69.0 Ratio: 18.7 Abs %Uncert: 20.0 L%: 0.1 H%: 38.7 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 20 T%: 10 Peak Rej: 500 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 556; 42.0 64; 43.0 517; 55.0 223; : 56.0 106; 57.0 999; 69.0 156; 70.0 150; : 71.0 939; 82.0 68; 83.0 139; 85.0 692; : 96.0 80; 97.0 172; 99.0 69; 111.0 99; Entry Number : 12 ------------ Compound Name : 9-C25:1 CAS Number : Attributes : Time: 17.023 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 64.6 Abs %Uncert: 20.0 L%: 44.6 H%: 84.6 Qualifier 2 : Ion: 69.0 Ratio: 47.0 Abs %Uncert: 20.0 L%: 27.0 H%: 67.0 Qualifier 3 : Ion: 55.0 Ratio: 45.7 Abs %Uncert: 20.0 L%: 25.7 H%: 65.7 Qualifier 4 : Ion: 111.0 Ratio: 54.3 Abs %Uncert: 20.0 L%: 34.3 H%: 74.3 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 20 T%: 10 Peak Rej: 500 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 516; 43.0 254; 55.0 541; 56.0 176; : 57.0 500; 67.0 286; 69.0 549; 70.0 216; : 71.0 351; 81.0 253; 82.0 199; 83.0 723; : 85.0 248; 96.0 228; 97.0 999; 111.0 469; Entry Number : 13 ------------ Compound Name : 7-C25:1 CAS Number : Attributes : Time: 17.121 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 55.0 Ratio: 68.4 Abs %Uncert: 20.0 L%: 48.4 H%: 88.4 Qualifier 2 : Ion: 83.0 Ratio: 71.4 Abs %Uncert: 20.0 L%: 51.4 H%: 91.4 Qualifier 3 : Ion: 69.0 Ratio: 65.1 Abs %Uncert: 20.0 L%: 45.1 H%: 85.1 Qualifier 4 : Ion: 110.8 Ratio: 57.7 Abs %Uncert: 20.0 L%: 37.7 H%: 77.7 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 500 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 552; 42.9 302; 55.0 678; 57.0 499; : 67.0 273; 69.0 624; 70.0 273; 71.0 321; : 81.1 244; 81.9 231; 83.0 670; 85.0 252; : 95.9 248; 97.0 999; 110.8 555; 124.8 228; Entry Number : 14 ------------ Compound Name : 5-C25:1 CAS Number : Attributes : Time: 17.263 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 55.0 Ratio: 89.8 Abs %Uncert: 20.0 L%: 69.8 H%: 109.8 Qualifier 2 : Ion: 83.0 Ratio: 78.4 Abs %Uncert: 20.0 L%: 58.4 H%: 98.4 Qualifier 3 : Ion: 69.0 Ratio: 75.0 Abs %Uncert: 20.0 L%: 55.0 H%: 95.0 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 300 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 651; 42.9 302; 55.0 786; 56.0 250; : 57.0 558; 67.0 286; 69.0 603; 70.0 291; : 71.0 301; 81.0 264; 81.9 267; 83.0 803; : 95.9 261; 97.0 999; 110.9 632; 124.8 235; Entry Number : 15 ------------ Compound Name : C25:0 CAS Number : Attributes : Time: 17.406 min Std:Y Ref:N RRT:N Active:Y Quan Ions : 57.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 105.4 Abs %Uncert: 20.0 L%: 85.4 H%: 125.4 Qualifier 2 : Ion: 85.0 Ratio: 80.6 Abs %Uncert: 20.0 L%: 60.6 H%: 100.6 Qualifier 3 : Ion: 41.0 Ratio: 39.4 Abs %Uncert: 20.0 L%: 19.4 H%: 59.4 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 20 T%: 10 Peak Rej: 500 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 323; 42.9 307; 55.0 150; 56.0 104; : 57.0 908; 69.0 174; 70.0 184; 71.0 999; : 81.9 89; 83.0 193; 85.0 749; 95.9 108; : 96.8 253; 98.2 122; 98.8 147; 110.8 155; Entry Number : 16 ------------ Compound Name : 11+-C26:1 CAS Number : Attributes : Time: 18.386 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 66.9 Abs %Uncert: 20.0 L%: 46.9 H%: 86.9 Qualifier 2 : Ion: 55.0 Ratio: 53.1 Abs %Uncert: 20.0 L%: 33.1 H%: 73.1 Qualifier 3 : Ion: 111.0 Ratio: 57.8 Abs %Uncert: 20.0 L%: 37.8 H%: 77.8 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 6.0 SS: 2 T%: 1 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 512; 43.0 239; 55.0 576; 56.0 189; : 57.0 494; 67.1 290; 69.0 526; 70.0 208; : 70.9 337; 81.0 242; 82.0 233; 83.0 655; : 95.9 246; 97.0 999; 111.0 557; 124.8 281; Entry Number : 17 ------------ Compound Name : 9-C26:1 CAS Number : Attributes : Time: 18.456 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 71.8 Abs %Uncert: 20.0 L%: 51.8 H%: 91.8 Qualifier 2 : Ion: 55.0 Ratio: 65.9 Abs %Uncert: 20.0 L%: 45.9 H%: 85.9 Qualifier 3 : Ion: 69.0 Ratio: 62.7 Abs %Uncert: 20.0 L%: 42.7 H%: 82.7 Qualifier 4 : Ion: 110.9 Ratio: 58.8 Abs %Uncert: 20.0 L%: 38.8 H%: 78.8 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 500 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 596; 42.9 324; 55.0 667; 57.0 522; : 67.0 287; 69.0 645; 70.0 250; 71.0 340; : 81.0 268; 81.9 219; 83.0 738; 85.0 251; : 95.9 259; 97.0 999; 110.9 587; 124.8 288; Entry Number : 18 ------------ Compound Name : 7-C26:1 CAS Number : Attributes : Time: 18.566 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 72.0 Abs %Uncert: 20.0 L%: 52.0 H%: 92.0 Qualifier 2 : Ion: 55.0 Ratio: 64.9 Abs %Uncert: 20.0 L%: 44.9 H%: 84.9 Qualifier 3 : Ion: 69.0 Ratio: 62.8 Abs %Uncert: 20.0 L%: 42.8 H%: 82.8 Qualifier 4 : Ion: 111.0 Ratio: 60.1 Abs %Uncert: 20.0 L%: 40.1 H%: 80.1 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 8.0 SS: 5 T%: 2 Peak Rej: 200 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 556; 43.0 329; 55.0 661; 56.0 236; : 57.0 580; 67.0 275; 69.0 645; 70.0 266; : 71.0 385; 81.1 227; 83.0 684; 85.0 262; : 95.9 254; 97.0 999; 111.0 577; 124.8 241; Entry Number : 19 ------------ Compound Name : 5-C26:1 CAS Number : Attributes : Time: 18.726 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 71.3 Abs %Uncert: 20.0 L%: 51.3 H%: 91.3 Qualifier 2 : Ion: 55.0 Ratio: 57.9 Abs %Uncert: 20.0 L%: 37.9 H%: 77.9 Qualifier 3 : Ion: 111.0 Ratio: 61.0 Abs %Uncert: 20.0 L%: 41.0 H%: 81.0 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 6.0 SS: 2 T%: 1 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 540; 43.0 275; 55.0 738; 57.0 516; : 67.0 280; 69.0 648; 70.0 219; 71.0 329; : 81.1 305; 82.0 243; 83.0 751; 85.0 261; : 95.9 268; 97.0 999; 111.0 669; 125.0 235; Entry Number : 20 ------------ Compound Name : C26:0 CAS Number : Attributes : Time: 18.820 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 57.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 98.9 Abs %Uncert: 20.0 L%: 78.9 H%: 118.9 Qualifier 2 : Ion: 85.0 Ratio: 80.6 Abs %Uncert: 20.0 L%: 60.6 H%: 100.6 Qualifier 3 : Ion: 41.0 Ratio: 51.1 Abs %Uncert: 20.0 L%: 31.1 H%: 71.1 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 500 Time Events Table : Time Event/Time S/N Ratio : 19.4790 5 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 511; 43.0 446; 55.0 245; 56.0 129; : 57.0 999; 69.0 202; 70.0 167; 71.0 960; : 81.9 87; 83.0 186; 85.0 794; 95.9 128; : 97.0 262; 98.0 101; 98.8 119; 111.0 162; Entry Number : 21 ------------ Compound Name : X,X-C27:2 CAS Number : Attributes : Time: 19.489 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 81.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 67.0 Ratio: 85.4 Abs %Uncert: 20.0 L%: 65.4 H%: 105.4 Qualifier 2 : Ion: 95.9 Ratio: 78.8 Abs %Uncert: 20.0 L%: 58.8 H%: 98.8 Qualifier 3 : Ion: 81.9 Ratio: 68.2 Abs %Uncert: 20.0 L%: 48.2 H%: 88.2 Qualifier 4 : Ion: 55.0 Ratio: 57.9 Abs %Uncert: 20.0 L%: 37.9 H%: 77.9 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.200 min Integration : WI: 8.0 SS: 5 T%: 2 Peak Rej: 300 Time Events Table : Time Event/Time Horizontal Forward : 20.1640 until 20.5530 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 472; 43.0 167; 55.0 547; 67.0 833; : 69.0 333; 81.1 999; 81.9 705; 83.0 358; : 95.0 578; 95.9 768; 96.9 376; 109.0 333; : 109.9 310; 123.0 260; 123.8 238; 137.8 209; Entry Number : 22 ------------ Compound Name : Y,Y-C27:2 CAS Number : Attributes : Time: 19.587 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 81.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 67.0 Ratio: 84.2 Abs %Uncert: 20.0 L%: 64.2 H%: 104.2 Qualifier 2 : Ion: 95.9 Ratio: 80.2 Abs %Uncert: 20.0 L%: 60.2 H%: 100.2 Qualifier 3 : Ion: 55.0 Ratio: 64.7 Abs %Uncert: 20.0 L%: 44.7 H%: 84.7 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.200 min Integration : WI: 6.0 SS: 5 T%: 2 Peak Rej: 300 Time Events Table : Time Event/Time Horizontal Forward : 20.2385 until 20.6226 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 461; 55.0 602; 67.0 844; 68.1 196; : 69.0 397; 81.1 999; 81.9 720; 83.0 342; : 95.0 616; 95.9 762; 97.0 356; 109.0 337; : 109.9 326; 123.0 234; 123.8 271; 137.8 207; Entry Number : 23 ------------ Compound Name : 11+-C27:1 CAS Number : Attributes : Time: 19.791 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 71.6 Abs %Uncert: 20.0 L%: 51.6 H%: 91.6 Qualifier 2 : Ion: 57.0 Ratio: 53.7 Abs %Uncert: 20.0 L%: 33.7 H%: 73.7 Qualifier 3 : Ion: 110.9 Ratio: 54.2 Abs %Uncert: 20.0 L%: 34.2 H%: 74.2 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.350 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 500 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 494; 43.0 247; 55.0 468; 57.0 438; : 67.0 283; 69.0 494; 70.0 181; 71.0 320; : 81.1 242; 81.9 213; 83.0 598; 85.0 233; : 95.9 232; 97.0 999; 110.9 539; 124.8 232; Entry Number : 24 ------------ Compound Name : 9-C27:1 CAS Number : Attributes : Time: 19.920 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 61.9 Abs %Uncert: 20.0 L%: 41.9 H%: 81.9 Qualifier 2 : Ion: 110.8 Ratio: 55.6 Abs %Uncert: 20.0 L%: 35.6 H%: 75.6 Qualifier 3 : Ion: 57.0 Ratio: 42.0 Abs %Uncert: 20.0 L%: 22.0 H%: 62.0 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 20 T%: 10 Peak Rej: 500 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 319; 42.9 169; 55.0 310; 57.0 381; : 67.0 197; 69.0 342; 71.0 306; 81.1 230; : 82.1 153; 83.0 582; 85.0 278; 95.1 153; : 96.1 244; 97.0 999; 110.8 539; 124.8 221; Entry Number : 25 ------------ Compound Name : 7-C27:1 CAS Number : Attributes : Time: 20.017 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 63.3 Abs %Uncert: 20.0 L%: 43.3 H%: 83.3 Qualifier 2 : Ion: 110.8 Ratio: 56.1 Abs %Uncert: 20.0 L%: 36.1 H%: 76.1 Qualifier 3 : Ion: 69.0 Ratio: 49.8 Abs %Uncert: 20.0 L%: 29.8 H%: 69.8 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.350 min Integration : WI: 4.0 SS: 20 T%: 10 Peak Rej: 500 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 392; 42.9 213; 55.0 468; 57.0 431; : 67.0 221; 69.0 493; 71.0 340; 81.0 218; : 82.0 192; 83.0 645; 85.0 260; 95.0 179; : 95.9 220; 97.0 999; 110.8 557; 124.8 247; Entry Number : 26 ------------ Compound Name : 5-C27:1 CAS Number : Attributes : Time: 20.161 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 66.6 Abs %Uncert: 20.0 L%: 46.6 H%: 86.6 Qualifier 2 : Ion: 55.0 Ratio: 65.3 Abs %Uncert: 20.0 L%: 45.3 H%: 85.3 Qualifier 3 : Ion: 110.9 Ratio: 58.2 Abs %Uncert: 20.0 L%: 38.2 H%: 78.2 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.150 min Integration : WI: 6.0 SS: 10 T%: 5 Peak Rej: 300 Time Events Table : Time Event/Time S/N Ratio : 20.9286 5 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 520; 43.0 263; 55.0 652; 57.0 490; : 67.0 242; 69.0 582; 70.0 228; 71.0 311; : 81.0 267; 81.9 228; 83.0 670; 85.0 232; : 95.9 291; 97.0 999; 110.9 617; 124.8 251; Entry Number : 27 ------------ Compound Name : C27:0 CAS Number : Attributes : Time: 20.244 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 57.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 103.2 Abs %Uncert: 20.0 L%: 83.2 H%: 123.2 Qualifier 2 : Ion: 85.0 Ratio: 80.2 Abs %Uncert: 20.0 L%: 60.2 H%: 100.2 Qualifier 3 : Ion: 41.0 Ratio: 51.0 Abs %Uncert: 20.0 L%: 31.0 H%: 71.0 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 20 T%: 10 Peak Rej: 500 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 496; 42.9 445; 55.0 222; 56.0 137; : 57.0 982; 69.0 208; 70.0 169; 71.0 999; : 81.9 101; 83.0 192; 85.0 789; 95.9 115; : 96.9 277; 98.0 110; 98.8 135; 110.8 158; Entry Number : 28 ------------ Compound Name : X-C28:1 CAS Number : Attributes : Time: 21.393 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 68.1 Abs %Uncert: 20.0 L%: 48.1 H%: 88.1 Qualifier 2 : Ion: 69.0 Ratio: 63.8 Abs %Uncert: 20.0 L%: 43.8 H%: 83.8 Qualifier 3 : Ion: 55.0 Ratio: 65.4 Abs %Uncert: 20.0 L%: 45.4 H%: 85.4 Qualifier 4 : Ion: 111.0 Ratio: 58.4 Abs %Uncert: 20.0 L%: 38.4 H%: 78.4 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.350 min Integration : WI: 6.0 SS: 5 T%: 2 Peak Rej: 300 Time Events Table : Time Event/Time Group Event : 21.9272 until 22.3551 Group Event : 21.0389 until 21.5366 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 583; 43.0 333; 55.0 617; 57.0 569; : 67.0 289; 69.0 643; 70.0 248; 71.0 372; : 81.0 253; 81.9 242; 83.0 699; 85.0 254; : 95.9 246; 97.0 999; 111.0 610; 124.8 273; Entry Number : 29 ------------ Compound Name : C28:0 CAS Number : Attributes : Time: 21.649 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 57.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 99.7 Abs %Uncert: 20.0 L%: 79.7 H%: 119.7 Qualifier 2 : Ion: 85.0 Ratio: 82.0 Abs %Uncert: 20.0 L%: 62.0 H%: 102.0 Qualifier 3 : Ion: 41.0 Ratio: 48.1 Abs %Uncert: 20.0 L%: 28.1 H%: 68.1 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 6.0 SS: 2 T%: 1 Peak Rej: 200 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 510; 42.9 407; 55.0 286; 56.0 135; : 57.0 999; 69.0 206; 70.0 212; 71.0 963; : 83.0 195; 85.0 857; 96.1 118; 97.0 306; : 98.8 133; 109.9 85; 111.0 250; 125.0 100; Entry Number : 30 ------------ Compound Name : X,X-C29:2 CAS Number : Attributes : Time: 22.304 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 81.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 67.0 Ratio: 0.0 Abs %Uncert: 20.0 L%: 0.1 H%: 20.0 Qualifier 2 : Ion: 95.9 Ratio: 0.0 Abs %Uncert: 20.0 L%: 0.1 H%: 20.0 Qualifier 3 : Ion: 55.0 Ratio: 0.0 Abs %Uncert: 20.0 L%: 0.1 H%: 20.0 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 6.0 SS: 5 T%: 2 Peak Rej: 200 Time Events Table : Time Event/Time Horizontal Forward : 22.9796 until 23.3712 S/N Ratio : 22.9609 5 Horizontal Forward : 22.0303 until 22.5856 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 517; 55.0 651; 57.0 233; 67.0 864; : 69.0 330; 81.1 999; 81.9 628; 83.0 384; : 95.1 637; 95.9 762; 97.0 465; 109.0 325; : 109.9 315; 122.9 266; 123.8 272; 137.8 218; Entry Number : 31 ------------ Compound Name : Y,Y-C29:2 CAS Number : Attributes : Time: 22.388 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 81.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 67.1 Ratio: 84.7 Abs %Uncert: 20.0 L%: 64.7 H%: 104.7 Qualifier 2 : Ion: 95.9 Ratio: 76.6 Abs %Uncert: 20.0 L%: 56.6 H%: 96.6 Qualifier 3 : Ion: 81.9 Ratio: 63.8 Abs %Uncert: 20.0 L%: 43.8 H%: 83.8 Qualifier 4 : Ion: 55.0 Ratio: 44.1 Abs %Uncert: 20.0 L%: 24.1 H%: 64.1 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 5 T%: 2 Peak Rej: 200 Time Events Table : Time Event/Time Horizontal Forward : 22.9589 until 23.6779 Horizontal Forward : 22.1085 until 22.9299 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 476; 55.0 680; 57.0 286; 67.1 880; : 69.0 460; 79.1 272; 81.0 999; 81.9 742; : 83.0 353; 95.1 609; 95.9 803; 97.0 481; : 109.1 343; 109.9 324; 123.0 249; 123.8 282; Entry Number : 32 ------------ Compound Name : 11+-C29:1 CAS Number : Attributes : Time: 22.528 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 55.0 Ratio: 68.0 Abs %Uncert: 20.0 L%: 48.0 H%: 88.0 Qualifier 2 : Ion: 83.0 Ratio: 67.3 Abs %Uncert: 20.0 L%: 47.3 H%: 87.3 Qualifier 3 : Ion: 110.9 Ratio: 56.1 Abs %Uncert: 20.0 L%: 36.1 H%: 76.1 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.450 min Integration : WI: 8.0 SS: 2 T%: 1 Peak Rej: 200 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 609; 42.9 312; 55.0 674; 57.0 477; : 67.0 458; 69.0 545; 71.0 283; 81.0 459; : 81.9 357; 83.0 666; 95.1 267; 95.9 390; : 97.0 999; 109.9 222; 110.9 592; 124.8 314; Entry Number : 33 ------------ Compound Name : 9-C29:1 CAS Number : Attributes : Time: 22.660 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 65.5 Abs %Uncert: 20.0 L%: 45.5 H%: 85.5 Qualifier 2 : Ion: 111.0 Ratio: 56.3 Abs %Uncert: 20.0 L%: 36.3 H%: 76.3 Qualifier 3 : Ion: 55.0 Ratio: 59.6 Abs %Uncert: 20.0 L%: 39.6 H%: 79.6 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.450 min Integration : WI: 8.0 SS: 5 T%: 2 Peak Rej: 300 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 512; 43.0 288; 55.0 588; 57.0 537; : 67.0 393; 69.0 529; 71.0 351; 81.0 363; : 81.9 318; 83.0 706; 85.0 257; 95.1 257; : 95.9 333; 97.0 999; 111.0 606; 124.8 332; Entry Number : 34 ------------ Compound Name : 7-C29:1 CAS Number : Attributes : Time: 22.790 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 62.8 Abs %Uncert: 20.0 L%: 42.8 H%: 82.8 Qualifier 2 : Ion: 110.8 Ratio: 56.5 Abs %Uncert: 20.0 L%: 36.5 H%: 76.5 Qualifier 3 : Ion: 55.0 Ratio: 51.8 Abs %Uncert: 20.0 L%: 31.8 H%: 71.8 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.450 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 500 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 435; 42.9 241; 55.0 463; 57.0 432; : 67.0 253; 69.0 445; 71.0 344; 81.0 231; : 81.9 201; 83.0 581; 85.0 292; 95.1 159; : 95.9 249; 97.0 999; 110.8 552; 124.8 246; Entry Number : 35 ------------ Compound Name : C29:0 CAS Number : Attributes : Time: 22.983 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 57.0 Scan Channels : Merged Chro Filter : Smooth: S Golay +/- 2 pts Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 107.7 Abs %Uncert: 20.0 L%: 87.7 H%: 127.7 Qualifier 2 : Ion: 85.0 Ratio: 91.7 Abs %Uncert: 20.0 L%: 71.7 H%: 111.7 Qualifier 3 : Ion: 41.0 Ratio: 47.2 Abs %Uncert: 20.0 L%: 27.2 H%: 67.2 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.200 min Integration : WI: 5.0 SS: 5 T%: 2 Peak Rej: 300 Time Events Table : Time Event/Time Horizontal Backward : 22.8015 until 23.1905 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 459; 43.0 439; 55.0 154; 56.0 102; : 57.0 999; 70.0 158; 71.0 948; 83.0 103; : 85.0 813; 95.9 89; 97.0 122; 98.0 127; : 98.8 175; 110.1 78; 111.0 86; 112.8 99; Entry Number : 36 ------------ Compound Name : X,Y-C31:2 CAS Number : Attributes : Time: 25.059 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 81.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 95.9 Ratio: 93.5 Abs %Uncert: 20.0 L%: 73.5 H%: 113.5 Qualifier 2 : Ion: 55.0 Ratio: 84.3 Abs %Uncert: 20.0 L%: 64.3 H%: 104.3 Qualifier 3 : Ion: 67.1 Ratio: 78.0 Abs %Uncert: 20.0 L%: 58.0 H%: 98.0 Qualifier 4 : Ion: 81.9 Ratio: 73.5 Abs %Uncert: 20.0 L%: 53.5 H%: 93.5 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.500 min Integration : WI: 4.0 SS: 10 T%: 5 Peak Rej: 200 Time Events Table : Time Event/Time Group Event : 25.7487 until 26.1711 S/N Ratio : 25.7103 5 Identification : Win: +/- 0.200 min Search Type: RetTime Ref Spectrum : 41.0 541; 55.0 883; 57.1 217; 67.1 826; : 69.0 597; 81.1 999; 81.9 744; 83.0 534; : 95.1 637; 95.9 926; 97.0 498; 109.1 327; : 109.9 429; 111.0 241; 123.1 332; 124.0 273; Entry Number : 37 ------------ Compound Name : 9-C31:1 CAS Number : Attributes : Time: 25.140 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 55.0 Ratio: 83.9 Abs %Uncert: 20.0 L%: 63.9 H%: 103.9 Qualifier 2 : Ion: 83.0 Ratio: 69.4 Abs %Uncert: 20.0 L%: 49.4 H%: 89.4 Qualifier 3 : Ion: 69.0 Ratio: 68.0 Abs %Uncert: 20.0 L%: 48.0 H%: 88.0 Qualifier 4 : Ion: 111.0 Ratio: 52.8 Abs %Uncert: 20.0 L%: 32.8 H%: 72.8 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 8.0 SS: 2 T%: 1 Peak Rej: 200 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 603; 43.0 304; 55.0 739; 57.0 544; : 67.0 537; 69.0 653; 71.0 338; 81.1 574; : 81.9 495; 83.0 676; 95.1 405; 95.9 626; : 97.0 999; 109.9 279; 111.0 522; 124.8 252; Entry Number : 38 ------------ Compound Name : 5-C31:1 CAS Number : Attributes : Time: 25.391 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 63.3 Abs %Uncert: 20.0 L%: 43.3 H%: 83.3 Qualifier 2 : Ion: 55.0 Ratio: 60.3 Abs %Uncert: 20.0 L%: 40.3 H%: 80.3 Qualifier 3 : Ion: 111.0 Ratio: 61.4 Abs %Uncert: 20.0 L%: 41.4 H%: 81.4 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 4.0 SS: 5 T%: 2 Peak Rej: 200 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 543; 43.0 317; 55.0 612; 57.0 547; : 67.1 257; 69.0 572; 70.0 211; 71.0 408; : 81.0 282; 81.9 256; 83.0 634; 85.0 294; : 95.9 300; 97.0 999; 111.0 581; 124.8 274; Entry Number : 39 ------------ Compound Name : 26.38 min [C31:0] CAS Number : Attributes : Time: 25.580 min Std:N Ref:N RRT:N Active:Y Uses Standard : C25:0 Quan Ions : 57.1 Scan Channels : 1 Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 69.1 Abs %Uncert: 20.0 L%: 49.1 H%: 89.1 Qualifier 2 : Ion: 85.0 Ratio: 52.3 Abs %Uncert: 20.0 L%: 32.3 H%: 72.3 Qualifier 3 : Ion: 41.0 Ratio: 92.8 Abs %Uncert: 20.0 L%: 72.8 H%: 112.8 Cali. Curve : Curve Fit: Linear Origin: Ignore Weight: 1/nx2 Calculations : Levels: 1 Mult: 1.000 Thresh: 0.000 Units: Level 1 Amount: 1.000 Coefficients : +0.0000e+000x^3 +0.0000e+000x^2 +0.0000e+000x +0.0000e+000 Detection : Win: +/- 0.250 min Integration : WI: 6.0 SS: 5 T%: 2 Peak Rej: 200 Time Events Table : Time Event/Time Horizontal Forward : 26.1373 until 26.5352 S/N Ratio : 26.1126 5 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 562; 43.0 381; 55.0 337; 56.0 145; : 57.0 999; 69.0 296; 70.0 207; 71.0 971; : 83.0 283; 84.2 148; 85.0 870; 97.0 579; : 98.0 130; 98.8 161; 111.0 392; 124.8 172;