nmr1 47 8.155 7.289 7.268 7.266 7.091 7.085 7.074 7.068 6 ... · pdf filedelamanid nmr...
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12 11 10 9 8 7 6 5 4 3 2 1 0 ppm
1.675
1.721
1.732
1.743
2.013
2.020
2.035
2.498
2.502
2.507
2.512
2.516
2.909
2.925
2.932
2.940
2.955
3.325
3.345
3.361
3.379
4.168
4.195
4.204
4.207
4.358
4.385
4.541
6.784
6.790
6.801
6.807
6.896
6.901
6.913
6.919
7.068
7.074
7.085
7.091
7.266
7.268
7.289
8.155
3.00
2.10
2.09
2.08
1.84
3.08
1.03
1.03
2.06
2.07
2.09
2.06
0.98
Current Data ParametersNAME OPC-67683EXPNO 10PROCNO 1
F2 - Acquisition ParametersDate_ 20161019Time 14.26INSTRUM spectPROBHD 5 mm PABBO BB-PULPROG zg30TD 65536SOLVENT DMSONS 16DS 2SWH 8012.820 HzFIDRES 0.122266 HzAQ 4.0894465 secRG 144DW 62.400 usecDE 6.50 usecTE 300.7 KD1 1.00000000 secTD0 1
======== CHANNEL f1 ========SFO1 400.1324710 MHzNUC1 1HP1 13.00 usecPLW1 19.00000000 W
F2 - Processing parametersSI 65536SF 400.1300000 MHzWDW noSSB 0LB 0 HzGB 0PC 1.00
PROTON DMSO D:\\ nmr1 47
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=====================================================================Acq. Operator : Acq. Instrument : Instrument 1 Location : Vial 27Injection Date : 10/19/2016 1:56:49 PM Inj Volume : 10.0 µlAcq. Method : C:\CHEM32\1\METHODS\TEST-KR.MLast changed : 10/19/2016 2:12:47 PM (modified after loading)Analysis Method : C:\CHEM32\1\METHODS\TEST-KR.MLast changed : 10/19/2016 2:30:29 PM (modified after loading)
min0 2.5 5 7.5 10 12.5 15 17.5 20 22.5
mAU
0
100
200
300
400
500
600
VWD1 A, Wavelength=254 nm (20161019\20161019000005.D)
5.9
71
11.2
20
14.0
81
===================================================================== Area Percent Report ===================================================================== Sorted By : SignalMultiplier: : 1.0000Dilution: : 1.0000Use Multiplier & Dilution Factor with ISTDs Signal 1: VWD1 A, Wavelength=254 nm Peak RetTime Type Width Area Height Area # [min] [min] mAU *s [mAU ] %----|-------|----|-------|----------|----------|--------| 1 5.971 BB 0.3410 26.13357 1.05131 0.2790 2 11.220 BB 0.2197 9322.19336 607.84302 99.5281 3 14.081 BB 0.2870 18.06525 9.70721e-1 0.1929 Totals : 9366.39219 609.86505 ===================================================================== *** End of Report ***
Data File C:\CHEM32\1\DATA\20161019\20161019000005.DSample Name: OPC-67683
Instrument 1 10/19/2016 2:30:32 PM Page 1 of 1
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File C:\CHEM32\1\DATA\20161019\20161017 2016-10-19 15-03-03\SIG10000004.D Injection Date : 19 Oct 16 3:40 pm +0800 Tgt Mass(EZX) : Sample Name : OPC-67683 Location : 71 Acq. Operator : [BSB3] Inj : 1 Spec. Reported : MS Integration Inj Volume : 10 ul Acq. Method : C:\Chem32\1\DATA\20161019\20161017 2016-10-19 15-03-03\TEST KR POS_LC.M Analysis Method : C:\Chem32\1\METHODS\TEST.POSKRSD.M Sample Info : Method Info :
min0 1 2 3 4 5 6 7 8 9
mAU
0
100
200
300
400
DAD1 A, Sig=254,4 Ref=off
5.00
6
min0 1 2 3 4 5 6 7 8 9
mAU
0
500
1000
1500
DAD1 C, Sig=214,4 Ref=off 5.
008
min0 1 2 3 4 5 6 7 8 9
0
500000
1000000
1500000
2000000
2500000
MSD1 TIC, MS File ES-API, Pos, Scan, Frag: 70
0.61
5
3.61
13.
742
5.17
4
5.90
5
6.78
5
Integration Results for DAD1 A, Sig=254,4 Ref=off
RetTim Width Area Height Area%|-------|--------|--------------|--------------|--------| 5.01 0.11 3836.19 444.65 100.00
Integration Results for DAD1 C, Sig=214,4 Ref=off
RetTim Width Area Height Area%|-------|--------|--------------|--------------|--------| 5.01 0.15 14365.93 1446.03 100.00
Integration Results for MSD1 TIC, MS File
RetTim Width Area Height Area%|-------|--------|--------------|--------------|--------| 0.62 0.11 715781.25 83763.80 1.64 3.61 0.07 252415.23 60949.53 0.58 3.74 0.11 405719.91 49971.16 0.93 5.17 0.22 41163440.00 2545076.75 94.11 5.90 0.15 551594.88 50469.14 1.26 6.79 0.18 652904.56 44819.88 1.49
LC/MS Report
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Ret. Time: 0.62 <<<< POSITIVE SPECTRA >>>>
m/z200 400 600 800 1000 1200
0
500
1000
1500
2000
2500
3000
3500
4000
4500
ES-API Positive 6
8.6
388
.1
173
.1
98.
7
286
.9
147
.0
193
.9
125
.9
256
.2 79.
3 5
6.2
159
.1
123
.1
83.
1
255
.1
89.
6
Ret. Time: 3.61
m/z200 400 600 800 1000 1200
0
2500
5000
7500
10000
12500
15000
17500
20000
ES-API Positive 6
80.5
701
.5
283
.7
396
.9
340
.4
Ret. Time: 3.74
m/z200 400 600 800 1000 1200 1400
0
1000
2000
3000
4000
5000
ES-API Positive
792
.5
497
.1
205
.1
378
.1
302
.8
265
.1
458
.0
184
.1
155
.1
453
.4
183
.1 396
.9
LC/MS Report
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Ret. Time: 5.17
m/z200 400 600 800 1000 1200
0
100000
200000
300000
400000
500000
600000
ES-API Positive
537
.2 5
36.2
535
.2
Ret. Time: 5.90
m/z200 400 600 800 1000 1200
0
2000
4000
6000
8000
10000
12000
14000
ES-API Positive
537
.0
280
.3
148
.9
301
.1 557
.1 536
.2
279
.2
535
.2
Ret. Time: 6.79
m/z100 200 300 400 500 600
0
2000
4000
6000
8000
10000
12000
14000
ES-API Positive
378
.3
336
.3
256
.3
353
.3 313
.3
282
.3
60.
2
LC/MS Report
1 2016-10-19 15:53:43 3/3
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