Adenine (C5H5N5)

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BMRB entry bmse000861

Entry DOI: doi:10.13018/BMSE000861
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley, Melanie E. Ulrich

NMR-STAR file:

bmse000861.str

NMR-STAR

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Structure file (mol/sdf):

bmse000861.mol

All files for

bmse000861

Time Domain Data:

bmse000861.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample:
Conditions:
Spectrometer:

Atom IDAuthor NomenclatureValueAmbiguity Code
C1C1152.4311
C2C2155.2501
C3C3122.5751
C4C4161.8861
C5C5156.8831
H11H118.1411
H12H128.0051

NMR experiments

1: 1D 1H
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 11.6
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 1
Download time domain data: bmse000861_1.zip

2: 2D [1H,1H]-TOCSY
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 11.6
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 2
Download time domain data: bmse000861_2.zip

3: 1D DEPT90
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 11.6
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 3
Download time domain data: bmse000861_3.zip

4: 1D DEPT135
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 11.6
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 4
Download time domain data: bmse000861_4.zip

5: 2D [1H,13C]-HSQC
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 11.6
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 5
Download time domain data: bmse000861_5.zip

6: 2D [1H,13C]-HMBC
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 11.6
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 6
Download time domain data: bmse000861_6.zip

7: 2D [1H,1H]-COSY
Sample: saturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 11.6
Spectrometer: Bruker DMX - 600MHz

Array spectrum for 7
Download time domain data: bmse000861_7.zip