Experiment 2 – Data Processing Instructions
Part 2A
You will be given the photos of the TLC conducted with measurements so that you can include the TLC
results in your reports. You have also been given extracted ion chromatograms (EICs) for morphine and
codeine in each of the poppy seed samples that were tested. The samples are grouped by poppy seed type
(raw and baked). The first samples in each group (PB and PR) are the samples that were prepared for the
raw vs. baked experiment. The remainder of the samples, which will be labelled with a F1 or F2, are for the
surface vs. inner experiment. Refer to the prac manual for instructions on the specific labelling of each
sample.
For each sample, you have been given the EIC showing the peak, and a table which contains the peak area
of that peak. Where there are multiple peaks integrated for a particular sample, the peak of interest has
been highlighted for you. The EICs and data tables are labelled with the mass of the ion that was extracted.
These masses relate to either morphine or codeine, as shown below. You have also been given data for a
mixed standard containing 5 µg/mL of codeine and morphine.
| Morphine | Codeine |
| Molecular Mass – 285 | Molecular Mass – 299 |
Part 2B
For part 2B, you have been given similar data, however this time we are looking at the acetylated
derivatives of morphine and codeine. For each morphine and codeine, you will see that there are 2 EICs
that are 3 mass units apart. The heavier ion is the deuterated internal standard (IS) that we used. Again, if
there are multiple peaks, the peak of interest has been highlighted. You should use these values to
populate the spreadsheet that will be given to you. At the end of the part 2B data, you have been given a
mass spectrum for acetylcodeine and acetylmorphine so that you can answer question 4 of the discussion
questions.
| 6-monoacetylmorphine | 6-monoacetylcodeine |
| Molecular Mass – 327 | Molecular Mass – 341 |
Part 2C
For part 2C, you have again been given the EICs for the analyte and IS that we used. In this case, we are
looking at the TMS derivatives of morphine and codeine. Again, you should use the peak areas to fill out the
spreadsheet that you will be given.
| Morphine-TMS | Codeine-TMS |
| Molecular Mass – 429 | Molecular Mass – 371 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 4510 Time–> Abundance Ion 299.00 (298.70 to 299.70): M8PB.Ddata.ms 11.649 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 50000 Time–> Abundance Ion 285.00 (284.70 to 285.70): M8PB.Ddata.ms 11.876 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 Time–> Abundance Ion 299.00 (298.70 to 299.70): M8PB1F1.Ddata.ms 11.645 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 50000 Time–> Abundance Ion 285.00 (284.70 to 285.70): M8PB1F1.Ddata.ms 11.876 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 Time–> Abundance Ion 299.00 (298.70 to 299.70): M8PB1F2.Ddata.ms 11.649 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 20000 Time–> Abundance Ion 285.00 (284.70 to 285.70): M8PB1F2.Ddata.ms 11.872 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 Time–> Abundance Ion 299.00 (298.70 to 299.70): M8PB2F1.Ddata.ms 11.649 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 10000 Time–> Abundance Ion 285.00 (284.70 to 285.70): M8PB2F1.Ddata.ms 11.872 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 500 Time–> Abundance Ion 299.00 (298.70 to 299.70): M8PB2F2.Ddata.ms 11.649 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 Time–> Abundance Ion 285.00 (284.70 to 285.70): M8PB2F2.Ddata.ms 11.876 |
IntRes.txt
Ion 299.00 (298.70 to 299.70): M8PB.Ddata.ms
M8PB
| Peak# 1 |
Ret Time 11.649 |
Type rBB |
Width 0.049 |
Area 4386 |
Start Time 11.628 |
End Time 11.678 |
Ion 285.00 (284.70 to 285.70): M8PB.Ddata.ms
M8PB
| Peak# 1 |
Ret Time 11.876 |
Type rBV |
Width 0.099 |
Area 92092 |
Start Time 11.843 |
End Time 11.942 |
Ion 299.00 (298.70 to 299.70): M8PB1F1.Ddata.ms
M8PB1F1
| Peak# 1 |
Ret Time 11.645 |
Type rBB |
Width 0.049 |
Area 6545 |
Start Time 11.624 |
End Time 11.674 |
Ion 285.00 (284.70 to 285.70): M8PB1F1.Ddata.ms
M8PB1F1
| Peak# 1 |
Ret Time 11.876 |
Type rBV |
Width 0.124 |
Area 56341 |
Start Time 11.843 |
End Time 11.966 |
Page 1
IntRes.txt
Ion 299.00 (298.70 to 299.70): M8PB1F2.Ddata.ms
M8PB1F2
| Peak# 1 |
Ret Time 11.649 |
Type rBB |
Width 0.058 |
Area 3643 |
Start Time 11.624 |
End Time 11.682 |
Ion 285.00 (284.70 to 285.70): M8PB1F2.Ddata.ms
M8PB1F2
| Peak# 1 |
Ret Time 11.872 |
Type rBV |
Width 0.078 |
Area 29312 |
Start Time 11.843 |
End Time 11.921 |
Ion 299.00 (298.70 to 299.70): M8PB2F1.Ddata.ms
M8PB2F1
| Peak# 1 |
Ret Time 11.649 |
Type rBB |
Width 0.041 |
Area 2280 |
Start Time 11.628 |
End Time 11.670 |
Ion 285.00 (284.70 to 285.70): M8PB2F1.Ddata.ms
M8PB2F1
| Peak# 1 |
Ret Time 11.872 |
Type rBV |
Width 0.087 |
Area 19735 |
Start Time 11.839 |
End Time 11.925 |
Page 2
IntRes.txt
Ion 299.00 (298.70 to 299.70): M8PB2F2.Ddata.ms
M8PB2F2
| Peak# 1 |
Ret Time 11.649 |
Type rBB |
Width 0.037 |
Area 619.00 |
Start Time 11.633 |
End Time 11.670 |
Ion 285.00 (284.70 to 285.70): M8PB2F2.Ddata.ms
M8PB2F2
| Peak# 1 |
Ret Time 11.876 |
Type rBV |
Width 0.045 |
Area 4008 |
Start Time 11.851 |
End Time 11.896 |
Page 3
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 10000 Time–> Abundance Ion 299.00 (298.70 to 299.70): M8PR.Ddata.ms 11.649 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 50000 Time–> Abundance Ion 285.00 (284.70 to 285.70): M8PR.Ddata.ms 11.876 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 Time–> Abundance Ion 299.00 (298.70 to 299.70): M8PR1F1.Ddata.ms 11.653 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 20000 Time–> Abundance Ion 285.00 (284.70 to 285.70): M8PR1F1.Ddata.ms 11.876 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 Time–> Abundance Ion 299.00 (298.70 to 299.70): M8PR1F2.Ddata.ms 11.649 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 10000 Time–> Abundance Ion 285.00 (284.70 to 285.70): M8PR1F2.Ddata.ms 11.872 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 10000 Time–> Abundance Ion 299.00 (298.70 to 299.70): M8PR2F1.Ddata.ms 11.649 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 100000 Time–> Abundance Ion 285.00 (284.70 to 285.70): M8PR2F1.Ddata.ms 11.880 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 Time–> Abundance Ion 299.00 (298.70 to 299.70): M8PR2F2.Ddata.ms 11.649 |
| 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 50000 Time–> Abundance Ion 285.00 (284.70 to 285.70): M8PR2F2.Ddata.ms 11.876 |
IntRes.txt
Ion 299.00 (298.70 to 299.70): M8PR.Ddata.ms
M8PR
| Peak# 1 |
Ret Time 11.649 |
Type rBB |
Width 0.074 |
Area 20426 |
Start Time 11.620 |
End Time 11.695 |
Ion 285.00 (284.70 to 285.70): M8PR.Ddata.ms
M8PR
| Peak# 1 |
Ret Time 11.876 |
Type rBV |
Width 0.095 |
Area 109455 |
Start Time 11.843 |
End Time 11.938 |
Ion 299.00 (298.70 to 299.70): M8PR1F1.Ddata.ms
M8PR1F1
| Peak# 1 |
Ret Time 11.653 |
Type rBB |
Width 0.049 |
Area 3464 |
Start Time 11.624 |
End Time 11.674 |
Ion 285.00 (284.70 to 285.70): M8PR1F1.Ddata.ms
M8PR1F1
Peak# Ret Time Type Width Area Start Time End Time
Page 1
IntRes.txt
1 11.876 rBV 0.070 31731 11.847 11.917
Ion 299.00 (298.70 to 299.70): M8PR1F2.Ddata.ms
M8PR1F2
| Peak# 1 |
Ret Time 11.649 |
Type rBB |
Width 0.049 |
Area 1824 |
Start Time 11.628 |
End Time 11.678 |
Ion 285.00 (284.70 to 285.70): M8PR1F2.Ddata.ms
M8PR1F2
| Peak# 1 |
Ret Time 11.872 |
Type rBV |
Width 0.078 |
Area 14722 |
Start Time 11.843 |
End Time 11.921 |
Ion 299.00 (298.70 to 299.70): M8PR2F1.Ddata.ms
M8PR2F1
| Peak# 1 |
Ret Time 11.649 |
Type rBB |
Width 0.074 |
Area 15548 |
Start Time 11.624 |
End Time 11.698 |
Ion 285.00 (284.70 to 285.70): M8PR2F1.Ddata.ms
Page 2
IntRes.txt
M8PR2F1
| Peak# 1 |
Ret Time 11.880 |
Type rBV |
Width 0.099 |
Area 178830 |
Start Time 11.843 |
End Time 11.942 |
Ion 299.00 (298.70 to 299.70): M8PR2F2.Ddata.ms
M8PR2F2
| Peak# 1 |
Ret Time 11.649 |
Type rBB |
Width 0.058 |
Area 7262 |
Start Time 11.624 |
End Time 11.682 |
Ion 285.00 (284.70 to 285.70): M8PR2F2.Ddata.ms
M8PR2F2
| Peak# 1 |
Ret Time 11.876 |
Type rBV |
Width 0.095 |
Area 92340 |
Start Time 11.839 |
End Time 11.933 |
Page 3
File :I:2019 FTOX2019 FTOX EXPT 2A DataMonday5ugCODMOR.D
Operator : FTOX
Acquired : 10 Apr 19 06:29 pm using AcqMethod 2019 FTOX EXPT2A_2B_SCAN.M
Instrument : UTS 5973
Sample Name: 5ug/mL CodMor
Misc Info :
Vial Number: 100
5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50
0
2000
4000
6000
8000
10000
12000
14000
16000
18000
20000
22000
24000
26000
28000
30000
32000
Time–>
Abundance Ion 299.00 (298.70 to 299.70): 5ugCODMOR.Ddata.ms
Ion 285.00 (284.70 to 285.70): 5ugCODMOR.Ddata.ms 11.653
11.876
Morphine/Codeine
Standard
IntRes.txt
Ion 299.00 (298.70 to 299.70): 5ugCODMOR.Ddata.ms
5ug/mL CodMor
| Peak# | Ret Time | Type | Width | Area | Start |
| Time 1 |
End Time 11.653 |
rBB | 0.070 | 33677 |
11.628 11.699
Ion 285.00 (284.70 to 285.70): 5ugCODMOR.Ddata.ms
5ug/mL CodMor
| Peak# | Ret Time | Type | Width | Area | Start |
| Time 1 |
End Time 11.876 |
rBB | 0.066 | 6795 |
11.847 11.913
Page 1
File :I:2019 FTOX2019 FTOX EXPT2B MonM5C1.D
Operator :
Acquired : 16 Apr 19 04:28 am using AcqMethod 2019 FTOX EXPT2B_SIM.M
Instrument : UTS 5973
Sample Name: M5C1
Misc Info :
Vial Number: 26
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 4000 6000 8000 Time–> Abundance Ion 327.00 (326.70 to 327.70): M5C1.Ddata.ms 5.926 6.525 12.596 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 1000 2000 3000 4000 5000 6000 7000 Time–> Abundance Ion 330.00 (329.70 to 330.70): M5C1.Ddata.ms 12.582 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 10000 15000 20000 Time–> Abundance Ion 341.00 (340.70 to 341.70): M5C1.Ddata.ms 5.383 6.525 12.122 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 10000 15000 20000 Time–> Abundance Ion 344.00 (343.70 to 344.70): M5C1.Ddata.ms 12.108 |
Part 2B
Area Percent Report
Data Path : I:2019 FTOX2019 FTOX EXPT2B Mon
Data File : M5C1.D
Acq On : 16 Apr 19 04:28 am
Operator :
Sample : M5C1
Misc :
ALS Vial : 26 Sample Multiplier: 1
Integration Parameters: TOXt.p
Integrator: RTE
Smoothing : ON Filtering: 5
Sampling : 1 Min Area: 1111 Area counts
Start Thrs: 0.2 Max Peaks: 3
Stop Thrs : 0 Peak Location: TOP
If leading or trailing edge < 100 prefer < Tangent else baseline drop >
Peak separation: 0
Method : C:msdchem1methodsdefault.m
Title :
Signal : EIC Ion 327.00 (326.70 to 327.70): M5C1.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 5.926 165 169 175 rBB 7880 12887 86.70% 34.188%
2 6.525 201 212 219 rBB3 7119 14864 100.00% 39.433%
3 12.596 646 648 652 rBB 9430 9943 66.89% 26.378%
Sum of corrected areas: 37694
Signal : EIC Ion 330.00 (329.70 to 330.70): M5C1.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.582 645 647 658 rBB 7309 11541 100.00% 100.000%
Sum of corrected areas: 11541
Signal : EIC Ion 341.00 (340.70 to 341.70): M5C1.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 5.383 128 130 132 rBB 13353 17856 84.26% 36.583%
2 6.525 201 212 224 rBB 4375 9762 46.06% 20.000%
3 12.122 610 614 619 rBB2 20550 21192 100.00% 43.417%
Sum of corrected areas: 48810
Signal : EIC Ion 344.00 (343.70 to 344.70): M5C1.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.108 611 613 624 rBB2 21262 25149 100.00% 100.000%
Sum of corrected areas: 25149
default.m Fri May 10 19:42:43 2019
File :I:2019 FTOX2019 FTOX EXPT2B MonM5C2.D
Operator :
Acquired : 16 Apr 19 04:51 am using AcqMethod 2019 FTOX EXPT2B_SIM.M
Instrument : UTS 5973
Sample Name: M5C2
Misc Info :
Vial Number: 27
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 4000 6000 8000 Time–> Abundance Ion 327.00 (326.70 to 327.70): M5C2.Ddata.ms 4.952 5.383 5.940 6.525 12.596 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 500 1000 1500 2000 Time–> Abundance Ion 330.00 (329.70 to 330.70): M5C2.Ddata.ms 12.582 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 10000 15000 20000 25000 Time–> Abundance Ion 341.00 (340.70 to 341.70): M5C2.Ddata.ms 4.910 5.383 5.592 6.525 12.122 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 4000 6000 8000 Time–> Abundance Ion 344.00 (343.70 to 344.70): M5C2.Ddata.ms 5.383 12.108 |
Area Percent Report
Data Path : I:2019 FTOX2019 FTOX EXPT2B Mon
Data File : M5C2.D
Acq On : 16 Apr 19 04:51 am
Operator :
Sample : M5C2
Misc :
ALS Vial : 27 Sample Multiplier: 1
Integration Parameters: TOXt.p
Integrator: RTE
Smoothing : ON Filtering: 5
Sampling : 1 Min Area: 1311 Area counts
Start Thrs: 0.2 Max Peaks: 5
Stop Thrs : 0 Peak Location: TOP
If leading or trailing edge < 100 prefer < Tangent else baseline drop >
Peak separation: 0
Method : C:msdchem1methodsdefault.m
Title :
Signal : EIC Ion 327.00 (326.70 to 327.70): M5C2.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 4.952 92 99 103 rBB 1407 5643 30.59% 14.518%
2 5.383 127 130 133 rBB 2970 4727 25.62% 12.162%
3 5.940 166 170 175 rBB2 3508 5479 29.70% 14.096%
4 6.525 200 212 218 rBB3 8931 18449 100.00% 47.466%
5 12.596 646 648 654 rBB 3846 4570 24.77% 11.758%
Sum of corrected areas: 38868
Signal : EIC Ion 330.00 (329.70 to 330.70): M5C2.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.582 645 647 658 rBB 2067 3761 100.00% 100.000%
Sum of corrected areas: 3761
Signal : EIC Ion 341.00 (340.70 to 341.70): M5C2.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 4.910 89 96 102 rBB 3987 12191 32.11% 14.424%
2 5.383 127 130 133 rBB 23919 37963 100.00% 44.918%
3 5.592 142 145 149 rBB2 7614 9597 25.28% 11.355%
4 6.525 199 212 217 rBB3 4724 10217 26.91% 12.089%
5 12.122 610 614 619 rBB2 13212 14548 38.32% 17.213%
Sum of corrected areas: 84516
Signal : EIC Ion 344.00 (343.70 to 344.70): M5C2.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 5.383 126 130 133 rBB 1413 2312 18.15% 15.363%
2 12.108 610 613 625 rBB2 9835 12737 100.00% 84.637%
Sum of corrected areas: 15049
default.m Fri May 10 19:43:50 2019
File :I:2019 FTOX2019 FTOX EXPT2B MonM5C3.D
Operator :
Acquired : 16 Apr 19 05:13 am using AcqMethod 2019 FTOX EXPT2B_SIM.M
Instrument : UTS 5973
Sample Name: M5C3
Misc Info :
Vial Number: 28
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 10000 15000 20000 25000 Time–> Abundance Ion 327.00 (326.70 to 327.70): M5C3.Ddata.ms 12.596 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 4000 6000 8000 Time–> Abundance Ion 330.00 (329.70 to 330.70): M5C3.Ddata.ms 12.582 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 10000 20000 30000 40000 50000 Time–> Abundance Ion 341.00 (340.70 to 341.70): M5C3.Ddata.ms 12.122 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 10000 15000 20000 Time–> Abundance Ion 344.00 (343.70 to 344.70): M5C3.Ddata.ms 12.108 |
Area Percent Report
Data Path : I:2019 FTOX2019 FTOX EXPT2B Mon
Data File : M5C3.D
Acq On : 16 Apr 19 05:13 am
Operator :
Sample : M5C3
Misc :
ALS Vial : 28 Sample Multiplier: 1
Integration Parameters: TOXt.p
Integrator: RTE
Smoothing : ON Filtering: 5
Sampling : 1 Min Area: 1311 Area counts
Start Thrs: 0.2 Max Peaks: 1
Stop Thrs : 0 Peak Location: TOP
If leading or trailing edge < 100 prefer < Tangent else baseline drop >
Peak separation: 0
Method : C:msdchem1methodsdefault.m
Title :
Signal : EIC Ion 327.00 (326.70 to 327.70): M5C3.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.596 645 648 660 rBB2 28178 31023 100.00% 100.000%
Sum of corrected areas: 31023
Signal : EIC Ion 330.00 (329.70 to 330.70): M5C3.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.582 643 647 661 rBB2 8424 12364 100.00% 100.000%
Sum of corrected areas: 12364
Signal : EIC Ion 341.00 (340.70 to 341.70): M5C3.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.122 611 614 619 rBB2 50378 54660 100.00% 100.000%
Sum of corrected areas: 54660
Signal : EIC Ion 344.00 (343.70 to 344.70): M5C3.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.108 609 613 623 rBB2 20096 22811 100.00% 100.000%
Sum of corrected areas: 22811
default.m Fri May 10 19:44:39 2019
File :I:2019 FTOX2019 FTOX EXPT2B MonM5C4.D
Operator :
Acquired : 16 Apr 19 05:36 am using AcqMethod 2019 FTOX EXPT2B_SIM.M
Instrument : UTS 5973
Sample Name: M5C4
Misc Info :
Vial Number: 29
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 10000 20000 30000 40000 50000 60000 Time–> Abundance Ion 327.00 (326.70 to 327.70): M5C4.Ddata.ms 12.596 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 4000 6000 8000 10000 Time–> Abundance Ion 330.00 (329.70 to 330.70): M5C4.Ddata.ms 12.582 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 20000 40000 60000 80000 100000 Time–> Abundance Ion 341.00 (340.70 to 341.70): M5C4.Ddata.ms 12.123 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 10000 15000 20000 25000 Time–> Abundance Ion 344.00 (343.70 to 344.70): M5C4.Ddata.ms 12.109 |
Area Percent Report
Data Path : I:2019 FTOX2019 FTOX EXPT2B Mon
Data File : M5C4.D
Acq On : 16 Apr 19 05:36 am
Operator :
Sample : M5C4
Misc :
ALS Vial : 29 Sample Multiplier: 1
Integration Parameters: TOXt.p
Integrator: RTE
Smoothing : ON Filtering: 5
Sampling : 1 Min Area: 1311 Area counts
Start Thrs: 0.2 Max Peaks: 1
Stop Thrs : 0 Peak Location: TOP
If leading or trailing edge < 100 prefer < Tangent else baseline drop >
Peak separation: 0
Method : C:msdchem1methodsdefault.m
Title :
Signal : EIC Ion 327.00 (326.70 to 327.70): M5C4.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.596 645 648 660 rBB2 63870 68936 100.00% 100.000%
Sum of corrected areas: 68936
Signal : EIC Ion 330.00 (329.70 to 330.70): M5C4.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.582 643 647 658 rBB2 10970 13472 100.00% 100.000%
Sum of corrected areas: 13472
Signal : EIC Ion 341.00 (340.70 to 341.70): M5C4.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.123 611 614 619 rBB2 102994 122458 100.00% 100.000%
Sum of corrected areas: 122458
Signal : EIC Ion 344.00 (343.70 to 344.70): M5C4.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.109 609 613 623 rBB2 25898 27175 100.00% 100.000%
Sum of corrected areas: 27175
default.m Fri May 10 19:45:21 2019
File :I:2019 FTOX2019 FTOX EXPT2B MonM5T0.D
Operator :
Acquired : 16 Apr 19 05:58 am using AcqMethod 2019 FTOX EXPT2B_SIM.M
Instrument : UTS 5973
Sample Name: M5T0
Misc Info :
Vial Number: 30
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 1000 2000 3000 4000 5000 6000 Time–> Abundance Ion 327.00 (326.70 to 327.70): M5T0.Ddata.ms 6.525 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 4000 6000 8000 Time–> Abundance Ion 330.00 (329.70 to 330.70): M5T0.Ddata.ms 12.582 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 10000 15000 Time–> Abundance Ion 341.00 (340.70 to 341.70): M5T0.Ddata.ms 5.383 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 10000 15000 20000 Time–> Abundance Ion 344.00 (343.70 to 344.70): M5T0.Ddata.ms 12.108 |
Area Percent Report
Data Path : I:2019 FTOX2019 FTOX EXPT2B Mon
Data File : M5T0.D
Acq On : 16 Apr 19 05:58 am
Operator :
Sample : M5T0
Misc :
ALS Vial : 30 Sample Multiplier: 1
Integration Parameters: TOXt.p
Integrator: RTE
Smoothing : ON Filtering: 5
Sampling : 1 Min Area: 1311 Area counts
Start Thrs: 0.2 Max Peaks: 1
Stop Thrs : 0 Peak Location: TOP
If leading or trailing edge < 100 prefer < Tangent else baseline drop >
Peak separation: 0
Method : C:msdchem1methodsdefault.m
Title :
Signal : EIC Ion 327.00 (326.70 to 327.70): M5T0.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 6.525 197 212 218 rBB3 6521 16154 100.00% 100.000%
Sum of corrected areas: 16154
Signal : EIC Ion 330.00 (329.70 to 330.70): M5T0.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.582 643 647 657 rBB 9549 11440 100.00% 100.000%
Sum of corrected areas: 11440
Signal : EIC Ion 341.00 (340.70 to 341.70): M5T0.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 5.383 110 130 136 rBB 15652 55494 100.00% 100.000%
Sum of corrected areas: 55494
Signal : EIC Ion 344.00 (343.70 to 344.70): M5T0.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.108 609 613 625 rBB 23809 24981 100.00% 100.000%
Sum of corrected areas: 24981
default.m Fri May 10 19:46:02 2019
File :I:2019 FTOX2019 FTOX EXPT2B MonM5T10.D
Operator :
Acquired : 16 Apr 19 06:21 am using AcqMethod 2019 FTOX EXPT2B_SIM.M
Instrument : UTS 5973
Sample Name: M5T10
Misc Info :
Vial Number: 31
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 10000 20000 30000 40000 50000 Time–> Abundance Ion 327.00 (326.70 to 327.70): M5T10.Ddata.ms 12.596 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 4000 6000 8000 Time–> Abundance Ion 330.00 (329.70 to 330.70): M5T10.Ddata.ms 12.582 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 10000 20000 30000 40000 50000 60000 70000 Time–> Abundance Ion 341.00 (340.70 to 341.70): M5T10.Ddata.ms 12.122 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 10000 15000 20000 Time–> Abundance Ion 344.00 (343.70 to 344.70): M5T10.Ddata.ms 12.108 |
Area Percent Report
Data Path : I:2019 FTOX2019 FTOX EXPT2B Mon
Data File : M5T10.D
Acq On : 16 Apr 19 06:21 am
Operator :
Sample : M5T10
Misc :
ALS Vial : 31 Sample Multiplier: 1
Integration Parameters: TOXt.p
Integrator: RTE
Smoothing : ON Filtering: 5
Sampling : 1 Min Area: 1311 Area counts
Start Thrs: 0.2 Max Peaks: 1
Stop Thrs : 0 Peak Location: TOP
If leading or trailing edge < 100 prefer < Tangent else baseline drop >
Peak separation: 0
Method : C:msdchem1methodsdefault.m
Title :
Signal : EIC Ion 327.00 (326.70 to 327.70): M5T10.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.596 645 648 654 rBB2 52235 56010 100.00% 100.000%
Sum of corrected areas: 56010
Signal : EIC Ion 330.00 (329.70 to 330.70): M5T10.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.582 643 647 657 rBB2 9059 10506 100.00% 100.000%
Sum of corrected areas: 10506
Signal : EIC Ion 341.00 (340.70 to 341.70): M5T10.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.122 609 614 619 rBB2 76035 104607 100.00% 100.000%
Sum of corrected areas: 104607
Signal : EIC Ion 344.00 (343.70 to 344.70): M5T10.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 12.108 611 613 618 rBB2 22234 22323 100.00% 100.000%
Sum of corrected areas: 22323
default.m Fri May 10 19:46:41 2019
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 20000 40000 60000 80000 100000 Time–> Abundance Ion 341.00 (340.70 to 341.70): M5C4.Ddata.ms 4.854 5.383 12.123 SIM |
50 100 150 200 250 300 350 0 2000 4000 6000 8000 m/z–> Abundance Scan 614 (12.123 min): M5C4.Ddata.ms 372.0 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 10000 15000 20000 25000 Time–> Abundance Ion 344.00 (343.70 to 344.70): M5C4.Ddata.ms 4.868 5.383 12.109 |
|
| 50 100 150 200 250 300 350 0 2000 4000 6000 8000 m/z–> Abundance Scan 613 (12.109 min): M5C4.Ddata.ms 372.0 |
341.0
282.0
43.0
229.0
282.0
229.0
341.0
43.0
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 50000 100000 Time–> Abundance Ion 341.00 (340.70 to 341.70): M5C4SCAN.Ddata.ms 4.861 5.384 12.119 SCAN |
50 100 150 200 250 300 350 0 2000 4000 6000 8000 m/z–> Abundance Scan 2071 (12.119 min): M5C4SCAN.Ddata.ms |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 5000 10000 15000 20000 Time–> Abundance Ion 344.00 (343.70 to 344.70): M5C4SCAN.Ddata.ms 4.869 5.380 12.111 |
|
| 50 100 150 200 250 300 350 0 2000 4000 6000 8000 m/z–> Abundance Scan 2068 (12.107 min): M5C4SCAN.Ddata.ms |
341.2
282.1
229.1
81.0 115.1 162.1
198.1
51.1 312.1
344.2
285.2
207.1
115.1
81.0 165.1
240.1
51.1
314.1
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 20000 40000 60000 Time–> Abundance Ion 327.00 (326.70 to 327.70): M5C4.Ddata.ms |
50 100 150 200 250 300 350 0 2000 4000 6000 8000 m/z–> Abundance Scan 648 (12.596 min): M5C4.Ddata.ms 0 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 4000 6000 8000 10000 Time–> Abundance Ion 330.00 (329.70 to 330.70): M5C4.Ddata.ms |
|
| 50 100 150 200 250 300 350 0 2000 4000 6000 8000 m/z–> Abundance Scan 647 (12.582 min): M5C4.Ddata.ms 372.0 |
4.089 4.924 5.021 5.383 5.4535.843
5.926 6.525
7.528 12.109
12.596
SIM
5.926 6.525
12.582
327.0
369.43.0 268.0
229.0
43.0
268.0
330.0
229.0
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 10000 20000 30000 40000 50000 Time–> Abundance Ion 327.00 (326.70 to 327.70): M5C4SCAN.Ddata.ms 4.861 55.421 .3805.846 5.928 6.522 6.645 6.926 7.536 12.119 12.598 SCAN |
50 100 150 200 250 300 350 0 2000 4000 6000 8000 m/z–> Abundance Scan 2186 (12.593 min): M5C4SCAN.Ddata.ms 2 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 14.00 14.50 0 2000 4000 6000 8000 10000 Time–> Abundance Ion 330.00 (329.70 to 330.70): M5C4SCAN.Ddata.ms 5.920 6.518 12.111 12.181 12.585 |
|
| 50 100 150 200 250 300 350 0 2000 4000 6000 8000 m/z–> Abundance Scan 2183 (12.581 min): M5C4SCAN.Ddata.ms 2 |
327.1
369.268.1
204.1
81.0 162.1
115.1
51.0 238.0
207.1
330.2
271.2 372.73.1
165.1
115.0
241.0
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 500 1000 1500 2000 2500 Time–> Abundance Ion 429.00 (428.70 to 429.70): W3C1.Ddata.ms 4.714 6.064 6.691 7.929 8.736 10.281 Part 2C |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 200 400 600 Time–> Abundance Ion 432.00 (431.70 to 432.70): W3C1.Ddata.ms 10.267 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 500 1000 1500 Time–> Abundance Ion 371.00 (370.70 to 371.70): W3C1.Ddata.ms 9.919 10.615 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 1000 2000 3000 4000 Time–> Abundance Ion 374.00 (373.70 to 374.70): W3C1.Ddata.ms 5.382 8.027 9.891 |
Area Percent Report
Data Path : I:2019 FTOX2019FTOX_EXPT2C_WED
Data File : W3C1.D
Acq On : 01 May 19 11:18 pm
Operator :
Sample : W3C1
Misc :
ALS Vial : 13 Sample Multiplier: 1
Integration Parameters: TOXt.p
Integrator: RTE
Smoothing : ON Filtering: 5
Sampling : 1 Min Area: 312 Area counts
Start Thrs: 0.2 Max Peaks: 6
Stop Thrs : 0 Peak Location: TOP
If leading or trailing edge < 100 prefer < Tangent else baseline drop >
Peak separation: 0
Method : C:msdchem1methodsdefault.m
Title :
Signal : EIC Ion 429.00 (428.70 to 429.70): W3C1.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 4.714 79 82 88 rBB2 272 342 16.42% 7.249%
2 6.064 174 179 182 rBB3 1520 2083 100.00% 44.150%
3 6.691 220 224 227 rBB 522 640 30.72% 13.565%
4 7.929 306 313 316 rBB 370 716 34.37% 15.176%
5 8.736 365 371 376 rBB2 178 372 17.86% 7.885%
6 10.281 475 482 488 rBB4 287 565 27.12% 11.975%
Sum of corrected areas: 4718
Signal : EIC Ion 432.00 (431.70 to 432.70): W3C1.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 10.267 477 481 488 rBB4 593 1179 100.00% 100.000%
Sum of corrected areas: 1179
Signal : EIC Ion 371.00 (370.70 to 371.70): W3C1.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 9.919 446 456 470 rBB3 1444 3039 81.32% 44.849%
2 10.615 501 506 515 rBB 1879 3737 100.00% 55.151%
Sum of corrected areas: 6776
Signal : EIC Ion 374.00 (373.70 to 374.70): W3C1.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 5.382 127 130 133 rBB2 248 415 5.04% 4.614%
2 8.027 315 320 326 rBB2 143 350 4.25% 3.891%
3 9.891 451 454 475 rBB3 4004 8229 100.00% 91.494%
Sum of corrected areas: 8994
default.m Sun May 12 23:25:32 2019
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 1000 2000 3000 Time–> Abundance Ion 429.00 (428.70 to 429.70): W3C2.Ddata.ms 6.064 10.281 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 100 200 300 400 500 Time–> Abundance Ion 432.00 (431.70 to 432.70): W3C2.Ddata.ms 10.267 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 500 1000 1500 2000 2500 Time–> Abundance Ion 371.00 (370.70 to 371.70): W3C2.Ddata.ms 9.919 10.615 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 500 1000 1500 2000 Time–> Abundance Ion 374.00 (373.70 to 374.70): W3C2.Ddata.ms 5.382 9.891 |
Area Percent Report
Data Path : I:2019 FTOX2019FTOX_EXPT2C_WED
Data File : W3C2.D
Acq On : 01 May 19 11:38 pm
Operator :
Sample : W3C2
Misc :
ALS Vial : 14 Sample Multiplier: 1
Integration Parameters: TOXt.p
Integrator: RTE
Smoothing : ON Filtering: 5
Sampling : 1 Min Area: 412 Area counts
Start Thrs: 0.2 Max Peaks: 2
Stop Thrs : 0 Peak Location: TOP
If leading or trailing edge < 100 prefer < Tangent else baseline drop >
Peak separation: 0
Method : C:msdchem1methodsdefault.m
Title :
Signal : EIC Ion 429.00 (428.70 to 429.70): W3C2.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 6.064 174 179 182 rBB2 1367 1907 100.00% 59.668%
2 10.281 478 482 492 rBB3 720 1289 67.59% 40.332%
Sum of corrected areas: 3196
Signal : EIC Ion 432.00 (431.70 to 432.70): W3C2.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 10.267 477 481 493 rBB 467 959 100.00% 100.000%
Sum of corrected areas: 959
Signal : EIC Ion 371.00 (370.70 to 371.70): W3C2.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 9.919 449 456 474 rBB2 2928 6061 100.00% 66.568%
2 10.615 502 506 517 rBB 1579 3044 50.22% 33.432%
Sum of corrected areas: 9105
Signal : EIC Ion 374.00 (373.70 to 374.70): W3C2.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 5.382 126 130 133 rBB 458 638 14.26% 12.480%
2 9.891 451 454 476 rBB2 2048 4474 100.00% 87.520%
Sum of corrected areas: 5112
default.m Sun May 12 23:26:48 2019
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 1000 2000 3000 Time–> Abundance Ion 429.00 (428.70 to 429.70): W3C3.Ddata.ms 6.064 10.281 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 100 200 300 Time–> Abundance Ion 432.00 (431.70 to 432.70): W3C3.Ddata.ms 10.267 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 2000 4000 6000 Time–> Abundance Ion 371.00 (370.70 to 371.70): W3C3.Ddata.ms 9.919 10.615 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 1000 2000 3000 Time–> Abundance Ion 374.00 (373.70 to 374.70): W3C3.Ddata.ms 8.027 9.891 |
Area Percent Report
Data Path : I:2019 FTOX2019FTOX_EXPT2C_WED
Data File : W3C3.D
Acq On : 01 May 19 11:58 pm
Operator :
Sample : W3C3
Misc :
ALS Vial : 15 Sample Multiplier: 1
Integration Parameters: TOXt.p
Integrator: RTE
Smoothing : ON Filtering: 5
Sampling : 1 Min Area: 512 Area counts
Start Thrs: 0.2 Max Peaks: 2
Stop Thrs : 0 Peak Location: TOP
If leading or trailing edge < 100 prefer < Tangent else baseline drop >
Peak separation: 0
Method : C:msdchem1methodsdefault.m
Title :
Signal : EIC Ion 429.00 (428.70 to 429.70): W3C3.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 6.064 176 179 182 rBB2 3747 4137 100.00% 71.278%
2 10.281 478 482 489 rBB2 938 1667 40.29% 28.722%
Sum of corrected areas: 5804
Signal : EIC Ion 432.00 (431.70 to 432.70): W3C3.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 10.267 477 481 488 rBB4 353 729 100.00% 100.000%
Sum of corrected areas: 729
Signal : EIC Ion 371.00 (370.70 to 371.70): W3C3.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 9.919 452 456 477 rBB2 7547 15319 100.00% 81.074%
2 10.615 501 506 516 rBB 1815 3576 23.34% 18.926%
Sum of corrected areas: 18895
Signal : EIC Ion 374.00 (373.70 to 374.70): W3C3.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 8.027 315 320 326 rBB 611 924 12.79% 11.340%
2 9.891 449 454 471 rBB2 3443 7224 100.00% 88.660%
Sum of corrected areas: 8148
default.m Sun May 12 23:28:24 2019
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 1000 2000 3000 Time–> Abundance Ion 429.00 (428.70 to 429.70): W3C4.Ddata.ms 6.064 10.281 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 100 200 300 Time–> Abundance Ion 432.00 (431.70 to 432.70): W3C4.Ddata.ms 10.267 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 2000 4000 6000 Time–> Abundance Ion 371.00 (370.70 to 371.70): W3C4.Ddata.ms 9.919 10.615 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 500 1000 Time–> Abundance Ion 374.00 (373.70 to 374.70): W3C4.Ddata.ms 5.382 9.891 |
Area Percent Report
Data Path : I:2019 FTOX2019FTOX_EXPT2C_WED
Data File : W3C4.D
Acq On : 02 May 19 12:17 am
Operator :
Sample : W3C4
Misc :
ALS Vial : 16 Sample Multiplier: 1
Integration Parameters: TOXt.p
Integrator: RTE
Smoothing : ON Filtering: 5
Sampling : 1 Min Area: 312 Area counts
Start Thrs: 0.2 Max Peaks: 2
Stop Thrs : 0 Peak Location: TOP
If leading or trailing edge < 100 prefer < Tangent else baseline drop >
Peak separation: 0
Method : C:msdchem1methodsdefault.m
Title :
Signal : EIC Ion 429.00 (428.70 to 429.70): W3C4.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 6.064 174 179 183 rBB2 1549 2087 93.63% 48.355%
2 10.281 477 482 493 rBB5 1203 2229 100.00% 51.645%
Sum of corrected areas: 4316
Signal : EIC Ion 432.00 (431.70 to 432.70): W3C4.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 10.267 477 481 491 rBB5 213 473 100.00% 100.000%
Sum of corrected areas: 473
Signal : EIC Ion 371.00 (370.70 to 371.70): W3C4.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 9.919 452 456 477 rBB3 7271 14116 100.00% 83.172%
2 10.615 502 506 517 rBB 1397 2856 20.23% 16.828%
Sum of corrected areas: 16972
Signal : EIC Ion 374.00 (373.70 to 374.70): W3C4.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 5.382 126 130 133 rBB2 177 314 10.50% 9.501%
2 9.891 451 454 472 rBB3 1296 2991 100.00% 90.499%
Sum of corrected areas: 3305
default.m Sun May 12 23:29:15 2019
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 50 100 150 200 250 300 Time–> Abundance Ion 432.00 (431.70 to 432.70): W3T0.Ddata.ms 10.267 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 200 400 600 800 1000 1200 1400 Time–> Abundance Ion 374.00 (373.70 to 374.70): W3T0.Ddata.ms 9.891 |
Area Percent Report
Data Path : I:2019 FTOX2019FTOX_EXPT2C_WED
Data File : W3T0.D
Acq On : 02 May 19 12:37 am
Operator :
Sample : W3T0
Misc :
ALS Vial : 17 Sample Multiplier: 1
Integration Parameters: TOXt.p
Integrator: RTE
Smoothing : ON Filtering: 5
Sampling : 1 Min Area: 412 Area counts
Start Thrs: 0.2 Max Peaks: 1
Stop Thrs : 0 Peak Location: TOP
If leading or trailing edge < 100 prefer < Tangent else baseline drop >
Peak separation: 0
Method : C:msdchem1methodsdefault.m
Title :
Signal : EIC Ion 432.00 (431.70 to 432.70): W3T0.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 10.267 477 481 488 rBB3 237 507 100.00% 100.000%
Sum of corrected areas: 507
Signal : EIC Ion 374.00 (373.70 to 374.70): W3T0.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 9.891 451 454 470 rBB 1497 3082 100.00% 100.000%
Sum of corrected areas: 3082
default.m Sun May 12 23:20:53 2019
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 5000 10000 Time–> Abundance Ion 429.00 (428.70 to 429.70): W3T8.Ddata.ms 6.064 6.691 10.281 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 200 400 600 800 1000 Time–> Abundance Ion 432.00 (431.70 to 432.70): W3T8.Ddata.ms 10.267 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 500 1000 1500 2000 Time–> Abundance Ion 371.00 (370.70 to 371.70): W3T8.Ddata.ms 9.905 10.281 10.615 |
| 4.00 4.50 5.00 5.50 6.00 6.50 7.00 7.50 8.00 8.50 9.00 9.50 10.00 10.50 11.00 11.50 12.00 12.50 13.00 13.50 0 1000 2000 3000 Time–> Abundance Ion 374.00 (373.70 to 374.70): W3T8.Ddata.ms 8.027 9.891 |
Area Percent Report
Data Path : I:2019 FTOX2019FTOX_EXPT2C_WED
Data File : W3T8.D
Acq On : 02 May 19 12:57 am
Operator :
Sample : W3T8
Misc :
ALS Vial : 18 Sample Multiplier: 1
Integration Parameters: TOXt.p
Integrator: RTE
Smoothing : ON Filtering: 5
Sampling : 1 Min Area: 812 Area counts
Start Thrs: 0.2 Max Peaks: 3
Stop Thrs : 0 Peak Location: TOP
If leading or trailing edge < 100 prefer < Tangent else baseline drop >
Peak separation: 0
Method : C:msdchem1methodsdefault.m
Title :
Signal : EIC Ion 429.00 (428.70 to 429.70): W3T8.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 6.064 176 179 182 rBB2 2979 3454 16.78% 13.764%
2 6.691 220 224 227 rBB 945 1057 5.14% 4.212%
3 10.281 477 482 492 rBB 12324 20583 100.00% 82.024%
Sum of corrected areas: 25094
Signal : EIC Ion 432.00 (431.70 to 432.70): W3T8.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 10.267 477 481 491 rBB 1007 2250 100.00% 100.000%
Sum of corrected areas: 2250
Signal : EIC Ion 371.00 (370.70 to 371.70): W3T8.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 9.905 452 455 471 rBB2 789 1769 47.17% 20.294%
2 10.281 477 482 489 rBB 2081 3750 100.00% 43.019%
3 10.615 500 506 516 rBB 1642 3198 85.28% 36.687%
Sum of corrected areas: 8717
Signal : EIC Ion 374.00 (373.70 to 374.70): W3T8.Ddata.ms
peak R.T. first max last PK peak corr. corr. % of
# min scan scan scan TY height area % max. total
— —– —– —- —- — ——- ——- —— ——-
1 8.027 316 320 326 rBB 1621 2139 31.48% 23.945%
2 9.891 450 454 478 rBB2 3260 6794 100.00% 76.055%
Sum of corrected areas: 8933
default.m Sun May 12 23:30:11 2019
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