Bmse000236 D-Alanine At BMRB

Trang chủ » C3h7no2 Nmr » Bmse000236 D-Alanine At BMRB

Có thể bạn quan tâm

About

Deposit

Search

Visualize

Analyze

Data

Learn

D-Alanine (C3H7NO2)D-Alanine bmse000236 - Data bmst000172 - Theory

View large 3D structure

BMRB entry bmse000236

Entry DOI: doi:10.13018/BMSE000236Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000236.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000236.mol

All files for

bmse000236

Time Domain Data:

bmse000236.zip

View the GISSMO record for this entry.

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1Sample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C2C253.2011
C1C318.8521
C3C4178.5841
H10H93.7671
H7H101.4681
H9H111.4681
H8H121.4681

NMR experiments

1: 1D 1HSample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #1: 1D 1H Download time domain data: bmse000236_1.zip

2: 2D [1H,1H]-TOCSYSample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #2: 2D [1H,1H]-TOCSY Download time domain data: bmse000236_2.zip

3: 1D 13CSample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #3: 1D 13C Download time domain data: bmse000236_3.zip

4: 1D DEPT90Sample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #4: 1D DEPT90 Download time domain data: bmse000236_4.zip

5: 1D DEPT135Sample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #5: 1D DEPT135 Download time domain data: bmse000236_5.zip

6: 2D [1H,13C]-HSQCSample: 100mM in D2O, ref: DSSConditions: temperature: 298K, pH: 7.4Spectrometer: Bruker DMX - 400MHz

Spectrum for experiment #6: 2D [1H,13C]-HSQC Download time domain data: bmse000236_6.zip

Từ khóa » C3h7no2 Nmr