************************************************************************ MS Workstation - Method Listing Method: Osmia-cornuta.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 : C15:0-2-one CAS Number : Attributes : Time: 7.230 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 43.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 58.0 Ratio: 68.0 Abs %Uncert: 20.0 L%: 48.0 H%: 88.0 Qualifier 2 : Ion: 70.9 Ratio: 49.5 Abs %Uncert: 20.0 L%: 29.5 H%: 69.5 Qualifier 3 : Ion: 59.0 Ratio: 40.3 Abs %Uncert: 20.0 L%: 20.3 H%: 60.3 Qualifier 4 : Ion: 84.9 Ratio: 33.1 Abs %Uncert: 20.0 L%: 13.1 H%: 53.1 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: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 391; 43.0 999; 55.0 219; 57.0 345; : 58.0 655; 59.0 412; 67.0 145; 69.0 143; : 70.0 106; 70.9 489; 81.0 141; 81.8 148; : 83.0 127; 84.9 337; 94.9 99; 95.8 230; Entry Number : 2 ------------ Compound Name : C14:0-EE CAS Number : Attributes : Time: 8.039 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 87.9 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 55.0 Ratio: 76.1 Abs %Uncert: 20.0 L%: 56.1 H%: 96.1 Qualifier 2 : Ion: 101.0 Ratio: 77.1 Abs %Uncert: 20.0 L%: 57.1 H%: 97.1 Qualifier 3 : Ion: 156.9 Ratio: 73.1 Abs %Uncert: 20.0 L%: 53.1 H%: 93.1 Qualifier 4 : Ion: 213.0 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: +/- 0.250 min Integration : WI: 4.0 SS: 5 T%: 2 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 515; 42.1 312; 43.0 368; 55.0 746; : 61.0 428; 69.0 287; 70.0 287; 73.0 641; : 87.2 297; 87.9 999; 101.0 722; 156.9 691; : 171.0 253; 199.0 253; 213.0 493; 256.0 254; Entry Number : 3 ------------ Compound Name : 9-C14:1-IPE CAS Number : Attributes : Time: 8.236 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 209.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 55.0 Ratio: 198.1 Abs %Uncert: 20.0 L%: 178.1 H%: 218.1 Qualifier 2 : Ion: 41.0 Ratio: 152.2 Abs %Uncert: 20.0 L%: 132.2 H%: 172.2 Qualifier 3 : Ion: 69.0 Ratio: 137.3 Abs %Uncert: 20.0 L%: 117.3 H%: 157.3 Qualifier 4 : Ion: 83.0 Ratio: 107.9 Abs %Uncert: 20.0 L%: 87.9 H%: 127.9 Qualifier 5 : Ion: 97.0 Ratio: 97.3 Abs %Uncert: 20.0 L%: 77.3 H%: 117.3 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: 5 T%: 2 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 841; 43.0 396; 55.0 999; 67.1 571; : 69.0 692; 81.1 489; 83.0 524; 95.1 353; : 96.0 330; 97.0 494; 98.0 330; 109.1 298; : 123.1 281; 189.0 352; 208.1 333; 209.0 547; Entry Number : 4 ------------ Compound Name : C14:0-IPE CAS Number : Attributes : Time: 8.356 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 228.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 229.1 Ratio: 100.0 Abs %Uncert: 20.0 L%: 80.0 H%: 120.0 Qualifier 2 : Ion: 61.1 Ratio: 76.9 Abs %Uncert: 20.0 L%: 56.9 H%: 96.9 Qualifier 3 : Ion: 41.0 Ratio: 78.3 Abs %Uncert: 20.0 L%: 58.3 H%: 98.3 Qualifier 4 : Ion: 87.0 Ratio: 32.3 Abs %Uncert: 20.0 L%: 12.3 H%: 52.3 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: 5 T%: 2 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 762; 42.1 238; 43.1 681; 55.0 461; : 57.1 442; 60.0 600; 61.1 763; 69.0 333; : 71.0 263; 73.0 268; 83.0 266; 87.0 307; : 129.0 420; 185.0 274; 228.0 936; 229.1 999; Entry Number : 5 ------------ Compound Name : C17:0-2-one CAS Number : Attributes : Time: 9.190 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 43.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 58.0 Ratio: 66.2 Abs %Uncert: 20.0 L%: 46.2 H%: 86.2 Qualifier 2 : Ion: 59.0 Ratio: 47.7 Abs %Uncert: 20.0 L%: 27.7 H%: 67.7 Qualifier 3 : Ion: 70.9 Ratio: 63.6 Abs %Uncert: 20.0 L%: 43.6 H%: 83.6 Qualifier 4 : Ion: 84.9 Ratio: 48.5 Abs %Uncert: 20.0 L%: 28.5 H%: 68.5 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: +/- 0.250 min Integration : WI: 4.0 SS: 5 T%: 2 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 377; 43.0 999; 55.0 269; 57.0 277; : 58.0 820; 59.0 582; 67.0 149; 69.0 164; : 70.9 436; 81.0 170; 81.8 181; 83.0 154; : 84.9 360; 94.9 139; 95.8 305; 97.0 185; Entry Number : 6 ------------ Compound Name : 9-C16:1-EE CAS Number : Attributes : Time: 9.925 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 237.0+283.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 283.0 Ratio: 55.1 Abs %Uncert: 20.0 L%: 35.1 H%: 75.1 Qualifier 2 : Ion: 55.0 Ratio: 61.2 Abs %Uncert: 20.0 L%: 41.2 H%: 81.2 Qualifier 3 : Ion: 81.0 Ratio: 46.9 Abs %Uncert: 20.0 L%: 26.9 H%: 66.9 Qualifier 4 : Ion: 95.1 Ratio: 34.9 Abs %Uncert: 20.0 L%: 14.9 H%: 54.9 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: +/- 0.250 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 : 41.0 576; 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 : 7 ------------ Compound Name : C16:0-EE CAS Number : Attributes : Time: 10.232 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 87.9 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 55.0 Ratio: 108.7 Abs %Uncert: 20.0 L%: 88.7 H%: 128.7 Qualifier 2 : Ion: 101.0 Ratio: 98.4 Abs %Uncert: 20.0 L%: 78.4 H%: 118.4 Qualifier 3 : Ion: 157.1 Ratio: 81.5 Abs %Uncert: 20.0 L%: 61.5 H%: 101.5 Qualifier 4 : Ion: 284.1 Ratio: 61.5 Abs %Uncert: 20.0 L%: 41.5 H%: 81.5 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: +/- 0.250 min Integration : WI: 4.0 SS: 5 T%: 2 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 694; 42.1 387; 43.1 514; 55.0 988; : 61.0 517; 69.0 408; 73.0 719; 87.9 999; : 101.0 984; 157.1 827; 185.0 383; 199.1 386; : 213.1 389; 241.2 562; 284.1 588; 285.1 359; Entry Number : 8 ------------ Compound Name : 9-C16:1-IPE CAS Number : Attributes : Time: 10.357 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 237.3 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 41.0 Ratio: 56.2 Abs %Uncert: 20.0 L%: 36.2 H%: 76.2 Qualifier 2 : Ion: 255.2 Ratio: 50.0 Abs %Uncert: 20.0 L%: 30.0 H%: 70.0 Qualifier 3 : Ion: 236.3 Ratio: 48.2 Abs %Uncert: 20.0 L%: 28.2 H%: 68.2 Qualifier 4 : Ion: 81.2 Ratio: 39.2 Abs %Uncert: 20.0 L%: 19.2 H%: 59.2 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: +/- 0.250 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 : 41.0 531; 43.0 265; 55.0 347; 69.0 220; : 81.2 357; 95.2 326; 109.2 245; 111.0 217; : 123.1 222; 135.2 208; 217.3 302; 235.2 262; : 236.3 458; 237.3 999; 255.2 484; 297.1 286; Entry Number : 9 ------------ Compound Name : C16:0-IPE CAS Number : Attributes : Time: 10.609 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 256.2+257.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 61.0 Ratio: 52.7 Abs %Uncert: 20.0 L%: 32.7 H%: 72.7 Qualifier 2 : Ion: 41.0 Ratio: 55.8 Abs %Uncert: 20.0 L%: 35.8 H%: 75.8 Qualifier 3 : Ion: 55.0 Ratio: 34.5 Abs %Uncert: 20.0 L%: 14.5 H%: 54.5 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: +/- 0.250 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 : 41.0 809; 43.0 634; 55.0 492; 57.0 477; : 60.0 615; 61.0 817; 69.0 337; 71.0 298; : 73.0 305; 83.0 289; 87.0 291; 129.0 248; : 171.1 220; 185.1 214; 256.2 999; 257.2 489; Entry Number : 10 ------------ Compound Name : C21:0 CAS Number : Attributes : Time: 11.635 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 11 ------------ Compound Name : 9-C16:1-nPE CAS Number : Attributes : Time: 12.106 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 236.0+237.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 41.0 Ratio: 121.5 Abs %Uncert: 20.0 L%: 101.5 H%: 141.5 Qualifier 2 : Ion: 55.0 Ratio: 118.2 Abs %Uncert: 20.0 L%: 98.2 H%: 138.2 Qualifier 3 : Ion: 69.0 Ratio: 88.2 Abs %Uncert: 20.0 L%: 68.2 H%: 108.2 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: +/- 0.250 min Integration : WI: 4.0 SS: 2 T%: 1 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 999; 43.0 450; 55.0 894; 57.0 392; : 67.0 394; 69.0 705; 81.0 354; 83.0 531; : 84.0 300; 95.0 391; 96.0 467; 97.0 461; : 98.0 305; 111.0 293; 236.2 296; 237.2 467; Entry Number : 12 ------------ Compound Name : 9-C18:1-EE CAS Number : Attributes : Time: 12.558 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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: 5 T%: 2 Peak Rej: 100 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 : 13 ------------ Compound Name : 9-C18:1-IPE CAS Number : Attributes : Time: 12.938 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 265.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 41.0 Ratio: 148.5 Abs %Uncert: 20.0 L%: 128.5 H%: 168.5 Qualifier 2 : Ion: 55.0 Ratio: 150.6 Abs %Uncert: 20.0 L%: 130.6 H%: 170.6 Qualifier 3 : Ion: 69.0 Ratio: 111.2 Abs %Uncert: 20.0 L%: 91.2 H%: 131.2 Qualifier 4 : Ion: 97.0 Ratio: 100.4 Abs %Uncert: 20.0 L%: 80.4 H%: 120.4 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: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 999; 43.1 451; 55.0 723; 67.0 524; : 69.0 570; 79.0 360; 81.1 474; 83.0 534; : 95.1 391; 96.0 242; 97.0 548; 109.1 233; : 111.0 282; 121.0 233; 264.2 358; 265.2 479; Entry Number : 14 ------------ Compound Name : C22:0 CAS Number : Attributes : Time: 13.016 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 15 ------------ Compound Name : 9-C18:1-OOH CAS Number : Attributes : Time: 13.136 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 16 ------------ Compound Name : 9-C18:1-IPE CAS Number : Attributes : Time: 13.874 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 264.0+265.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 55.0 Ratio: 188.7 Abs %Uncert: 20.0 L%: 168.7 H%: 208.7 Qualifier 2 : Ion: 41.0 Ratio: 214.6 Abs %Uncert: 20.0 L%: 194.6 H%: 234.6 Qualifier 3 : Ion: 83.0 Ratio: 145.1 Abs %Uncert: 20.0 L%: 125.1 H%: 165.1 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 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 941; 43.0 560; 55.0 999; 57.0 453; : 67.0 593; 69.0 814; 70.0 311; 81.0 421; : 82.0 297; 83.0 823; 95.0 335; 96.0 317; : 97.0 789; 111.0 416; 264.2 312; 265.3 376; Entry Number : 17 ------------ Compound Name : 9-C23:1 CAS Number : Attributes : Time: 14.063 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 14.9001 until 15.2203 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 847; 43.0 341; 55.0 817; 56.0 289; : 57.0 653; 67.0 391; 69.0 726; 70.0 353; : 71.0 355; 81.0 268; 81.9 276; 83.0 818; : 85.0 263; 95.9 250; 97.0 999; 111.0 610; Entry Number : 18 ------------ Compound Name : 7-C23:1 CAS Number : Attributes : Time: 14.171 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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: +/- 0.250 min Integration : WI: 4.0 SS: 5 T%: 2 Peak Rej: 300 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 : 19 ------------ Compound Name : C23:0 CAS Number : Attributes : Time: 14.457 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 20 ------------ Compound Name : 11+-C24:1 CAS Number : Attributes : Time: 15.417 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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: 1 T%: 0 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 765; 43.0 384; 55.0 781; 56.0 288; : 57.0 626; 67.0 363; 69.0 670; 70.0 322; : 71.0 312; 81.0 249; 81.9 269; 83.0 739; : 85.0 261; 95.9 239; 97.0 999; 111.0 565; Entry Number : 21 ------------ Compound Name : 9-C24:1 CAS Number : Attributes : Time: 15.512 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 55.0 Ratio: 85.1 Abs %Uncert: 20.0 L%: 65.1 H%: 105.1 Qualifier 2 : Ion: 83.0 Ratio: 80.9 Abs %Uncert: 20.0 L%: 60.9 H%: 100.9 Qualifier 3 : Ion: 41.0 Ratio: 81.0 Abs %Uncert: 20.0 L%: 61.0 H%: 101.0 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: 5 T%: 2 Peak Rej: 200 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 786; 43.0 379; 55.0 844; 56.0 281; : 57.0 526; 67.0 368; 69.0 673; 70.0 295; : 71.0 246; 81.1 255; 81.9 288; 83.0 829; : 95.9 233; 97.0 999; 111.0 636; 124.8 269; Entry Number : 22 ------------ Compound Name : 7-C24:1 CAS Number : Attributes : Time: 15.622 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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: 6.0 SS: 2 T%: 1 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 757; 43.0 374; 55.0 845; 56.0 267; : 57.0 581; 67.0 325; 69.0 697; 70.0 326; : 71.0 337; 81.0 240; 81.9 251; 83.0 772; : 95.9 241; 97.0 999; 111.0 621; 124.8 230; Entry Number : 23 ------------ Compound Name : 5-C24:1 CAS Number : Attributes : Time: 15.735 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 76.5 Abs %Uncert: 20.0 L%: 56.5 H%: 96.5 Qualifier 2 : Ion: 55.0 Ratio: 76.4 Abs %Uncert: 20.0 L%: 56.4 H%: 96.4 Qualifier 3 : Ion: 41.0 Ratio: 68.6 Abs %Uncert: 20.0 L%: 48.6 H%: 88.6 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: 2 T%: 1 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 692; 43.0 391; 55.0 787; 56.0 265; : 57.0 560; 67.0 280; 69.0 665; 70.0 312; : 71.0 260; 81.0 226; 82.0 289; 83.0 801; : 85.0 222; 97.0 999; 111.0 565; 125.0 237; Entry Number : 24 ------------ Compound Name : C24:0 CAS Number : Attributes : Time: 15.893 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 25 ------------ Compound Name : X-Me-C24:0 CAS Number : Attributes : Time: 16.196 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 57.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 88.4 Abs %Uncert: 20.0 L%: 68.4 H%: 108.4 Qualifier 2 : Ion: 85.0 Ratio: 74.0 Abs %Uncert: 20.0 L%: 54.0 H%: 94.0 Qualifier 3 : Ion: 41.0 Ratio: 51.4 Abs %Uncert: 20.0 L%: 31.4 H%: 71.4 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 : 41.0 532; 43.0 524; 55.0 284; 56.0 190; : 57.0 999; 69.0 157; 70.0 186; 71.0 872; : 83.0 125; 84.0 164; 85.0 775; 97.0 133; : 98.8 123; 110.0 90; 111.0 198; 125.0 100; Entry Number : 26 ------------ Compound Name : 9-C25:1 CAS Number : Attributes : Time: 16.991 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 27 ------------ Compound Name : 7-C25:1 CAS Number : Attributes : Time: 17.121 min Std:Y Ref:N RRT:N Active:Y 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 : 28 ------------ Compound Name : 5-C25:1 CAS Number : Attributes : Time: 17.264 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 55.1 Ratio: 86.6 Abs %Uncert: 20.0 L%: 66.6 H%: 106.6 Qualifier 2 : Ion: 83.0 Ratio: 76.8 Abs %Uncert: 20.0 L%: 56.8 H%: 96.8 Qualifier 3 : Ion: 41.1 Ratio: 72.6 Abs %Uncert: 20.0 L%: 52.6 H%: 92.6 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: 6.0 SS: 2 T%: 1 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 674; 43.0 348; 55.0 728; 56.0 258; : 57.0 607; 67.0 246; 69.0 668; 70.0 219; : 71.0 387; 81.9 277; 83.0 743; 85.0 225; : 95.9 244; 97.0 999; 111.0 571; 124.8 283; Entry Number : 29 ------------ Compound Name : C25:0 CAS Number : Attributes : Time: 17.377 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 30 ------------ Compound Name : X-Me-C25:0 CAS Number : Attributes : Time: 18.003 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 67.1 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 81.0 Ratio: 94.9 Abs %Uncert: 20.0 L%: 74.9 H%: 114.9 Qualifier 2 : Ion: 95.9 Ratio: 75.0 Abs %Uncert: 20.0 L%: 55.0 H%: 95.0 Qualifier 3 : Ion: 82.0 Ratio: 65.4 Abs %Uncert: 20.0 L%: 45.4 H%: 85.4 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: 1 T%: 0 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 384; 43.1 220; 55.0 290; 67.1 999; : 68.0 278; 79.0 311; 81.0 962; 82.0 633; : 83.0 230; 95.1 595; 95.9 710; 97.0 275; : 109.0 348; 109.9 447; 123.0 233; 123.8 212; Entry Number : 31 ------------ Compound Name : X,Y-di-Me-C25:0 CAS Number : Attributes : Time: 18.196 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 57.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 94.5 Abs %Uncert: 20.0 L%: 74.5 H%: 114.5 Qualifier 2 : Ion: 85.0 Ratio: 79.1 Abs %Uncert: 20.0 L%: 59.1 H%: 99.1 Qualifier 3 : Ion: 41.0 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: 6.0 SS: 2 T%: 1 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 566; 43.0 455; 55.0 253; 56.0 92; : 57.0 999; 69.0 195; 70.0 174; 71.0 934; : 81.9 95; 83.0 181; 84.0 100; 85.0 757; : 95.9 125; 96.9 245; 98.9 94; 111.0 174; Entry Number : 32 ------------ Compound Name : 11+-C26:1 CAS Number : Attributes : Time: 18.436 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.0 Ratio: 71.0 Abs %Uncert: 20.0 L%: 51.0 H%: 91.0 Qualifier 2 : Ion: 55.1 Ratio: 68.1 Abs %Uncert: 20.0 L%: 48.1 H%: 88.1 Qualifier 3 : Ion: 41.1 Ratio: 71.8 Abs %Uncert: 20.0 L%: 51.8 H%: 91.8 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 : 41.0 573; 43.0 265; 55.0 716; 56.0 256; : 57.0 453; 67.0 303; 69.0 663; 70.0 288; : 71.0 213; 81.0 253; 81.9 258; 83.0 703; : 95.9 221; 97.0 999; 111.0 598; 124.9 275; Entry Number : 33 ------------ Compound Name : 9-C26:1 CAS Number : Attributes : Time: 18.480 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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: 6.0 SS: 2 T%: 1 Peak Rej: 100 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 : 34 ------------ Compound Name : 7-C26:1 CAS Number : Attributes : Time: 18.547 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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: 2 T%: 1 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 : 35 ------------ Compound Name : 5-C26:1 CAS Number : Attributes : Time: 18.698 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 41.0 694; 43.0 426; 55.0 742; 56.0 329; : 57.0 774; 67.0 267; 69.0 651; 70.0 263; : 71.0 261; 81.1 313; 83.0 784; 85.0 330; : 95.9 302; 97.0 999; 111.0 668; 125.0 383; Entry Number : 36 ------------ Compound Name : C26:0 CAS Number : Attributes : Time: 18.793 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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: 5.0 SS: 5 T%: 2 Peak Rej: 200 Time Events Table : Time Event/Time S/N Ratio : 19.4790 5 Horizontal Forward : 19.6211 until 19.9480 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 566; 43.0 459; 55.0 205; 56.0 140; : 57.0 999; 67.0 76; 69.0 171; 70.0 121; : 71.0 914; 83.0 162; 84.0 93; 85.0 649; : 95.9 91; 97.0 191; 98.8 87; 111.0 145; Entry Number : 37 ------------ Compound Name : X-Me-C26:0 CAS Number : Attributes : Time: 18.901 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 57.0 Scan Channels : Merged 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: 81.5 Abs %Uncert: 20.0 L%: 61.5 H%: 101.5 Qualifier 3 : Ion: 41.0 Ratio: 49.1 Abs %Uncert: 20.0 L%: 29.1 H%: 69.1 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 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 547; 43.0 521; 55.0 255; 56.0 149; : 57.0 999; 69.0 187; 70.0 163; 71.0 890; : 83.0 191; 84.0 128; 85.0 802; 95.9 115; : 97.0 242; 98.0 81; 98.8 126; 111.0 167; Entry Number : 38 ------------ Compound Name : Y-Me-C26:0 CAS Number : Attributes : Time: 19.246 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 57.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 94.9 Abs %Uncert: 20.0 L%: 74.9 H%: 114.9 Qualifier 2 : Ion: 85.0 Ratio: 78.6 Abs %Uncert: 20.0 L%: 58.6 H%: 98.6 Qualifier 3 : Ion: 41.0 Ratio: 53.7 Abs %Uncert: 20.0 L%: 33.7 H%: 73.7 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: 300 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 567; 43.0 456; 55.0 275; 56.0 139; : 57.0 999; 69.0 194; 70.0 190; 71.0 974; : 83.0 186; 84.0 128; 85.0 849; 95.9 126; : 97.0 288; 98.0 102; 98.8 140; 111.0 243; Entry Number : 39 ------------ Compound Name : 9-C27:1 CAS Number : Attributes : Time: 19.864 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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: 6.0 SS: 20 T%: 10 Peak Rej: 500 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 679; 43.0 402; 55.0 723; 57.0 645; : 67.0 337; 69.0 679; 70.0 270; 71.0 385; : 81.0 287; 81.9 281; 83.0 763; 85.0 269; : 95.9 269; 97.0 999; 111.0 665; 124.8 291; Entry Number : 40 ------------ Compound Name : 7-C27:1 CAS Number : Attributes : Time: 19.979 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 41.1 649; 43.0 381; 55.1 626; 57.0 536; : 67.1 394; 69.1 567; 71.0 419; 79.1 269; : 81.1 331; 82.0 244; 83.0 674; 85.0 296; : 95.9 249; 97.0 999; 111.0 611; 125.0 276; Entry Number : 41 ------------ Compound Name : 5-C27:1 CAS Number : Attributes : Time: 20.124 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 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 : 42 ------------ Compound Name : C27:0 CAS Number : Attributes : Time: 20.220 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 43 ------------ Compound Name : X-Me-C27:0 CAS Number : Attributes : Time: 20.644 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 57.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 71.0 Ratio: 84.1 Abs %Uncert: 20.0 L%: 64.1 H%: 104.1 Qualifier 2 : Ion: 85.0 Ratio: 63.4 Abs %Uncert: 20.0 L%: 43.4 H%: 83.4 Qualifier 3 : Ion: 41.0 Ratio: 50.2 Abs %Uncert: 20.0 L%: 30.2 H%: 70.2 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: +/- 0.250 min Integration : WI: 4.0 SS: 2 T%: 1 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 590; 43.0 547; 55.0 283; 56.0 133; : 57.0 999; 69.0 224; 70.0 152; 71.0 967; : 81.0 129; 83.0 249; 85.0 742; 95.9 133; : 97.0 310; 110.1 124; 111.0 226; 125.0 156; Entry Number : 44 ------------ Compound Name : 7-C28:1 CAS Number : Attributes : Time: 21.336 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 83.1 Ratio: 68.1 Abs %Uncert: 20.0 L%: 48.1 H%: 88.1 Qualifier 2 : Ion: 69.1 Ratio: 63.8 Abs %Uncert: 20.0 L%: 43.8 H%: 83.8 Qualifier 3 : Ion: 55.1 Ratio: 65.4 Abs %Uncert: 20.0 L%: 45.4 H%: 85.4 Qualifier 4 : Ion: 111.1 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: 8.0 SS: 5 T%: 2 Peak Rej: 200 Time Events Table : Time Event/Time Group Event : 22.3352 until 22.5980 Horizontal Forward : 22.2091 until 22.7919 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.1 608; 43.1 367; 55.1 805; 57.1 691; : 67.2 455; 69.1 494; 70.1 389; 71.2 251; : 81.2 275; 83.1 728; 85.2 219; 95.2 282; : 96.1 292; 97.1 999; 111.1 616; 125.2 223; Entry Number : 45 ------------ Compound Name : 5-C28:1 CAS Number : Attributes : Time: 21.490 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 97.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 111.0 Ratio: 58.5 Abs %Uncert: 20.0 L%: 38.5 H%: 78.5 Qualifier 2 : Ion: 55.0 Ratio: 55.4 Abs %Uncert: 20.0 L%: 35.4 H%: 75.4 Qualifier 3 : Ion: 83.0 Ratio: 62.7 Abs %Uncert: 20.0 L%: 42.7 H%: 82.7 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: 2 T%: 1 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 680; 43.1 423; 55.0 875; 57.0 438; : 67.0 371; 69.0 485; 81.0 247; 82.0 466; : 83.0 847; 95.1 366; 96.0 343; 97.0 999; : 97.9 276; 110.0 338; 111.0 909; 125.0 338; Entry Number : 46 ------------ Compound Name : C28:0 CAS Number : Attributes : Time: 21.582 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 47 ------------ Compound Name : X-Me-C28:0 CAS Number : Attributes : Time: 21.703 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 69.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 41.0 Ratio: 70.6 Abs %Uncert: 20.0 L%: 50.6 H%: 90.6 Qualifier 2 : Ion: 57.0 Ratio: 60.2 Abs %Uncert: 20.0 L%: 40.2 H%: 80.2 Qualifier 3 : Ion: 81.1 Ratio: 79.3 Abs %Uncert: 20.0 L%: 59.3 H%: 99.3 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: 2 T%: 1 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 910; 43.0 483; 44.0 226; 55.0 227; : 57.0 868; 67.0 380; 69.0 999; 70.9 760; : 81.1 807; 83.0 293; 84.9 777; 93.0 233; : 95.1 373; 107.0 217; 111.0 256; 121.0 337; Entry Number : 48 ------------ Compound Name : 7-C29:1 CAS Number : Attributes : Time: 22.747 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 49 ------------ Compound Name : C29:0 CAS Number : Attributes : Time: 22.956 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 50 ------------ Compound Name : 5-C30:1 CAS Number : Attributes : Time: 24.077 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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 : 51 ------------ Compound Name : C30:0 CAS Number : Attributes : Time: 24.253 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 57.0 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 70.9 Ratio: 105.3 Abs %Uncert: 20.0 L%: 85.3 H%: 125.3 Qualifier 2 : Ion: 84.9 Ratio: 84.1 Abs %Uncert: 20.0 L%: 64.1 H%: 104.1 Qualifier 3 : Ion: 41.0 Ratio: 45.3 Abs %Uncert: 20.0 L%: 25.3 H%: 65.3 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: 2 T%: 1 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 502; 43.0 363; 44.0 473; 55.0 334; : 56.0 197; 57.0 999; 69.0 346; 70.0 223; : 70.9 953; 81.0 139; 83.0 207; 84.9 857; : 96.0 216; 97.0 478; 97.9 142; 111.0 367; Entry Number : 52 ------------ Compound Name : X-Me-C30:0 CAS Number : Attributes : Time: 24.365 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 Quan Ions : 70.9 Scan Channels : Merged Chro Filter : Smooth: No Spikes: No Qualifier 1 : Ion: 57.0 Ratio: 88.4 Abs %Uncert: 20.0 L%: 68.4 H%: 108.4 Qualifier 2 : Ion: 84.9 Ratio: 81.2 Abs %Uncert: 20.0 L%: 61.2 H%: 101.2 Qualifier 3 : Ion: 41.0 Ratio: 42.3 Abs %Uncert: 20.0 L%: 22.3 H%: 62.3 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: 1 T%: 0 Peak Rej: 100 Identification : Win: +/- 0.200 min Type: Spectrum Thrsh: 700 Min Abund: 50 Ref Spectrum : 41.0 423; 43.0 390; 44.0 191; 55.0 192; : 56.1 109; 57.0 927; 70.0 222; 70.9 999; : 83.0 172; 84.0 136; 84.9 793; 97.0 176; : 97.9 116; 98.7 119; 111.0 167; 125.0 163; Entry Number : 53 ------------ Compound Name : 5-C31:1 CAS Number : Attributes : Time: 25.375 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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: +/- 0.350 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 : 41.0 543; 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 : 54 ------------ Compound Name : C31:0 CAS Number : Attributes : Time: 25.550 min Std:N Ref:N RRT:N Active:Y Uses Standard : 7-C25:1 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;