Sphingomyelin (C39H79N2O6P)

Sphingomyelin bmse001109 - Data

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BMRB entry bmse001109

Entry DOI: doi:10.13018/BMSE001109
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse001109.str

NMR-STAR

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Structure file (mol/sdf):

bmse001109.mol

All files for

bmse001109

Time Domain Data:

bmse001109.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C2129.684
C2332.37274
C1929.684
C2529.684
C1729.684
C2729.684
C1529.684
C1829.684
C2929.684
C2029.684
C1629.684
C1329.684
C2229.684
C1429.684
C3126.40171
C2429.684
C1229.684
C1129.684
C3466.62541
C2629.684
C1029.684
C3754.22091
C3336.90491
C929.684
C3871.23861
C354.33071
C454.33071
C554.33071
C2832.66051
C829.684
C3559.26981
C3664.90151
C39174.80251
C723.09251
C32129.59921
C30134.74951
C623.09251
C214.45981
C114.45981
H1271.26524
H1261.26524
H941.26524
H951.26524
H981.26524
H991.26524
H901.26524
H911.26524
H1021.26524
H1031.26524
H861.26524
H871.26524
H1061.26524
H1071.26524
H821.26524
H831.26524
H881.26524
H891.26524
H1101.26524
H1111.27674
H921.27674
H931.27674
H841.27674
H851.27674
H781.27674
H791.27674
H961.27674
H971.27674
H801.57961
H811.57961
H1131.27674
H1141.27674
H1001.27674
H1011.27674
H761.27674
H771.27674
H743.58841
H753.58841
H1181.27674
H1191.27674
H1041.27674
H1051.27674
H723.91691
H732.171
H1242.171
H1161.27674
H1171.27674
H704.0631
H713.20861
H1253.20861
H553.20861
H573.20861
H563.20861
H603.20861
H593.20861
H583.20861
H623.20861
H632.02051
H612.02051
H1081.26524
H1091.26524
H684.24091
H694.24091
H1213.87922
H1224.172
H1231.28821
H661.28821
H675.44341
H1155.70831
H1121.28821
H641.28821
H650.88561
H540.88561
H530.88561
H520.88561
H500.88561
H490.88561

NMR experiments

1: 1D 1H
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #1: 1D 1H
Download time domain data: bmse001109_1.zip

2: 2D 1H-1H TOCSY
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #2: 2D 1H-1H TOCSY
Download time domain data: bmse001109_2.zip

3: 1D 13C
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #3: 1D 13C
Download time domain data: bmse001109_3.zip

4: 1D DEPT90
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #4: 1D DEPT90
Download time domain data: bmse001109_4.zip

5: 1D DEPT135
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #5: 1D DEPT135
Download time domain data: bmse001109_5.zip

6: 2D 1H-13C HSQC
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #6: 2D 1H-13C HSQC
Download time domain data: bmse001109_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001109_7.zip

8: 2D 1H-13C HMBC
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #8: 2D 1H-13C HMBC
Download time domain data: bmse001109_8.zip

9: 2D 1H-1H COSY
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #9: 2D 1H-1H COSY
Download time domain data: bmse001109_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in Methanol-d4, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Spectrum for experiment #10: 2D 1H-13C HSQC-TOCSY-ADIA
Download time domain data: bmse001109_10.zip