nmr1 29 8.142 7.970 7.284 6.062 4.010 3.327 3.300 3.280 3 ... · Spec. Reported : MS Integration...

5
2.0 2.5 3.0 3.5 4.0 4.5 5.0 5.5 6.0 6.5 7.0 7.5 8.0 8.5 ppm 1.897 1.905 1.924 1.932 2.108 2.140 2.736 2.743 2.767 2.773 2.797 2.804 3.030 3.055 3.059 3.085 3.125 3.157 3.253 3.280 3.300 3.327 4.010 6.062 7.284 7.970 8.142 6.74 0.99 0.99 2.03 2.04 3.06 1.76 1.99 1.00 Current Data Parameters NAME SCH-90076 EXPNO 10 PROCNO 1 F2 - Acquisition Parameters Date_ 20161102 Time 12.00 INSTRUM spect PROBHD 5 mm PABBO BB- PULPROG zg30 TD 65536 SOLVENT CDCl3 NS 16 DS 2 SWH 8012.820 Hz FIDRES 0.122266 Hz AQ 4.0894465 sec RG 203 DW 62.400 usec DE 6.50 usec TE 296.5 K D1 1.00000000 sec TD0 1 ======== CHANNEL f1 ======== SFO1 400.1324710 MHz NUC1 1H P1 13.00 usec PLW1 19.00000000 W F2 - Processing parameters SI 65536 SF 400.1300000 MHz WDW no SSB 0 LB 0 Hz GB 0 PC 1.00 PROTON CDCl3 D:\\ nmr1 29 MedKoo Biosciences www.medkoo.com [email protected] MedKoo Biosciences Product Quality Control Data www.medkoo.com MedKoo Biosciences Product Quality Control Data www.medkoo.com MedKoo Biosciences Product Quality Control Data www.medkoo.com

Transcript of nmr1 29 8.142 7.970 7.284 6.062 4.010 3.327 3.300 3.280 3 ... · Spec. Reported : MS Integration...

Page 1: nmr1 29 8.142 7.970 7.284 6.062 4.010 3.327 3.300 3.280 3 ... · Spec. Reported : MS Integration Inj Volume : 1 ul Acq. Method : C:\Chem32\1\DATA\20161102\20161017 2016-11-02 09-36-34\TEST

2.02.53.03.54.04.55.05.56.06.57.07.58.08.5 ppm

1.897

1.905

1.924

1.932

2.108

2.140

2.736

2.743

2.767

2.773

2.797

2.804

3.030

3.055

3.059

3.085

3.125

3.157

3.253

3.280

3.300

3.327

4.010

6.062

7.284

7.970

8.142

6.74

0.99

0.99

2.03

2.04

3.06

1.76

1.99

1.00

Current Data ParametersNAME SCH-90076EXPNO 10PROCNO 1

F2 - Acquisition ParametersDate_ 20161102Time 12.00INSTRUM spectPROBHD 5 mm PABBO BB-PULPROG zg30TD 65536SOLVENT CDCl3NS 16DS 2SWH 8012.820 HzFIDRES 0.122266 HzAQ 4.0894465 secRG 203DW 62.400 usecDE 6.50 usecTE 296.5 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 CDCl3 D:\\ nmr1 29

MedKoo Biosciences www.medkoo.com [email protected]

MedKoo Biosciences Product Quality Control Data www.medkoo.com MedKoo Biosciences Product Quality Control Data www.medkoo.com MedKoo Biosciences Product Quality Control Data www.medkoo.com

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MedKoo Cat#: 202573 Name: SCH900776 CAS#: 891494-63-6 Lot#: BBC61102 Chemical Formula: C15H18BrN7 Exact Mass: 375.08071 Molecular Weight: 376.25
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SCH-900776 NMR Analysis, Solvent = DMSO
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Page 2: nmr1 29 8.142 7.970 7.284 6.062 4.010 3.327 3.300 3.280 3 ... · Spec. Reported : MS Integration Inj Volume : 1 ul Acq. Method : C:\Chem32\1\DATA\20161102\20161017 2016-11-02 09-36-34\TEST

===================================================================== : zj : 4 : 1 : 34 : 2016-11-2 14:52:47 : 1 : 2.0 µl ! : 1.0 µl : C:\CHEM32\1\DATA\20161102\KR 2016-11-02 13-47-05\TEST-KR.M : 2016-11-2 14:30:18 : zj ( ) : C:\CHEM32\1\METHODS\TEST-KR.M : 2016-11-2 15:36:26 : zj ( )

min2.5 5 7.5 10 12.5 15 17.5 20

mAU

0

500

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DAD1 A, Sig=214,4 Ref=360,100 (20161102\KR 2016-11-02 13-47-05\SIG1000004.D) 5

.861

6.1

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min2.5 5 7.5 10 12.5 15 17.5 20

mAU

0

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400

600

800

1000

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DAD1 B, Sig=254,16 Ref=360,100 (20161102\KR 2016-11-02 13-47-05\SIG1000004.D)

5.8

61 6

.176

8.0

64

===================================================================== ===================================================================== : : : 1.0000 : : 1.0000

1: DAD1 A, Sig=214,4 Ref=360,100 # [min] [min] [mAU*s] [mAU] %----|-------|----|-------|----------|----------|--------| 1 5.861 BV 0.0861 1.27386e4 2395.00684 99.2919 2 6.176 VBA 0.0491 90.85001 28.57674 0.7081

: C:\CHEM32\1\DATA\20161102\KR 2016-11-02 13-47-05\SIG1000004.D : SCH-90076

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MedKoo Cat#: 202573 Name: SCH900776 CAS#: 891494-63-6 Lot#: BBC61102 Chemical Formula: C15H18BrN7 Exact Mass: 375.08071 Molecular Weight: 376.25
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SCH-900776 HPLC Analysis
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Page 3: nmr1 29 8.142 7.970 7.284 6.062 4.010 3.327 3.300 3.280 3 ... · Spec. Reported : MS Integration Inj Volume : 1 ul Acq. Method : C:\Chem32\1\DATA\20161102\20161017 2016-11-02 09-36-34\TEST

: 1.28294e4 2423.58358 2: DAD1 B, Sig=254,16 Ref=360,100 # [min] [min] [mAU*s] [mAU] %----|-------|----|-------|----------|----------|--------| 1 5.861 BV 0.0790 7286.63672 1440.38660 99.0157 2 6.176 VB 0.0543 64.03655 17.66690 0.8702 3 8.064 BV 0.0669 8.39929 2.00232 0.1141 : 7359.07257 1460.05581 ===================================================================== *** ***

: C:\CHEM32\1\DATA\20161102\KR 2016-11-02 13-47-05\SIG1000004.D : SCH-90076

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MedKoo Cat#: 202573 Name: SCH900776 CAS#: 891494-63-6 Lot#: BBC61102 Chemical Formula: C15H18BrN7 Exact Mass: 375.08071 Molecular Weight: 376.25
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SCH-900776 HPLC Analysis
Page 4: nmr1 29 8.142 7.970 7.284 6.062 4.010 3.327 3.300 3.280 3 ... · Spec. Reported : MS Integration Inj Volume : 1 ul Acq. Method : C:\Chem32\1\DATA\20161102\20161017 2016-11-02 09-36-34\TEST

File C:\CHEM32\1\DATA\20161102\20161017 2016-11-02 09-36-34\SIG10000012.D Injection Date : 2 Nov 16 11:52 am +0800 Tgt Mass(EZX) : Sample Name : SCH-90076 Location : 71 Acq. Operator : [BSB1] Inj : 1 Spec. Reported : MS Integration Inj Volume : 1 ul Acq. Method : C:\Chem32\1\DATA\20161102\20161017 2016-11-02 09-36-34\TEST KR POS_LC.M Analysis Method : C:\CHEM32\1\METHODS\TEST KR POS_LC.M Sample Info : Method Info :

min0 2 4 6 8

mAU

0250500750

100012501500

DAD1 A, Sig=254,4 Ref=off

3.23

9

3.51

7

min0 2 4 6 8

mAU

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DAD1 C, Sig=214,4 Ref=off

3.24

0

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min0 2 4 6 8

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500000

1000000

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MSD1 TIC, MS File ES-API, Pos, Scan, Frag: 70

3.41

3

3.74

7

Integration Results for DAD1 A, Sig=254,4 Ref=off

RetTim Width Area Height Area%|-------|--------|--------------|--------------|--------| 3.24 0.14 15969.93 1832.69 98.91 3.52 0.07 175.84 35.45 1.09

Integration Results for DAD1 C, Sig=214,4 Ref=off

RetTim Width Area Height Area%|-------|--------|--------------|--------------|--------| 3.24 0.17 18259.46 1738.55 98.55 3.52 0.07 269.15 51.52 1.45

Integration Results for MSD1 TIC, MS File

RetTim Width Area Height Area%|-------|--------|--------------|--------------|--------| 3.41 0.24 31670760.00 1988861.75 96.03 3.75 0.10 1310001.38 213339.94 3.97

LC/MS Report

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MedKoo Cat#: 202573 Name: SCH900776 CAS#: 891494-63-6 Lot#: BBC61102 Chemical Formula: C15H18BrN7 Exact Mass: 375.08071 Molecular Weight: 376.25
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Page 5: nmr1 29 8.142 7.970 7.284 6.062 4.010 3.327 3.300 3.280 3 ... · Spec. Reported : MS Integration Inj Volume : 1 ul Acq. Method : C:\Chem32\1\DATA\20161102\20161017 2016-11-02 09-36-34\TEST

Ret. Time: 3.41 <<<< POSITIVE SPECTRA >>>>

m/z200 400 600 800 1000 1200 1400

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ES-API Positive

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Ret. Time: 3.75

m/z200 400 600 800 1000 1200

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ES-API Positive

189

.4

396

.9 3

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183

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376

.1 189

.6 1

88.7

LC/MS Report

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SCH-900776 LC/MS Analysis
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MedKoo Cat#: 202573 Name: SCH900776 CAS#: 891494-63-6 Lot#: BBC61102 Chemical Formula: C15H18BrN7 Exact Mass: 375.08071 Molecular Weight: 376.25
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