D-(+)-Maltose (C12H22O11)

View large 3D structure

BMRB entry bmse000017

Entry DOI: doi:10.13018/BMSE000017
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000017.str

NMR-STAR

interactive viewer

Structure file (mol/sdf):

bmse000017.mol

All files for

bmse000017

Time Domain Data:

bmse000017.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: multiple; see NMR-STAR file
Conditions: temperature: 298K, pH: 7.4
Spectrometer: multiple; see NMR-STAR file

Atom IDAuthor NomenclatureValueAmbiguity Code
C10C179.4904
C10C179.2884
C10C178.9564
C10C177.2804
C10C176.7274
C10C175.9784
C10C175.5624
C10C175.3964
C10C174.4224
C10C174.0144
C10C172.6624
C10C172.0334
C4C279.4904
C4C279.2884
C4C278.9564
C4C277.2804
C4C276.7274
C4C275.9784
C4C275.5624
C4C275.3964
C4C274.4224
C4C274.0144
C4C272.6624
C4C272.0334
C7C479.4904
C7C479.2884
C7C478.9564
C7C477.2804
C7C476.7274
C7C475.9784
C7C475.5624
C7C475.3964
C7C474.4224
C7C474.0144
C7C472.6624
C7C472.0334
C2C663.4464
C2C663.2974
C2C663.1684
C12C7102.281
C8C879.4904
C8C879.2884
C8C878.9564
C8C877.2804
C8C876.7274
C8C875.9784
C8C875.5624
C8C875.3964
C8C874.4224
C8C874.0144
C8C872.6624
C8C872.0334
C11C1098.4904
C11C1094.6144
C9C1379.4904
C9C1379.2884
C9C1378.9564
C9C1377.2804
C9C1376.7274
C9C1375.9784
C9C1375.5624
C9C1375.3964
C9C1374.4224
C9C1374.0144
C9C1372.6624
C9C1372.0334
C3C1679.4904
C3C1679.2884
C3C1678.9564
C3C1677.2804
C3C1676.7274
C3C1675.9784
C3C1675.5624
C3C1675.3964
C3C1674.4224
C3C1674.0144
C3C1672.6624
C3C1672.0334
C6C1779.4904
C6C1779.2884
C6C1778.9564
C6C1777.2804
C6C1776.7274
C6C1775.9784
C6C1775.5624
C6C1775.3964
C6C1774.4224
C6C1774.0144
C6C1772.6624
C6C1772.0334
C5C1979.4904
C5C1979.2884
C5C1978.9564
C5C1977.2804
C5C1976.7274
C5C1975.9784
C5C1975.5624
C5C1975.3964
C5C1974.4224
C5C1974.0144
C5C1972.6624
C5C1972.0334
C1C2063.4464
C1C2063.2974
C1C2063.1684
H35H243.7644
H35H243.4124
H35H243.2664
H29H253.7644
H29H253.4124
H29H253.2664
H32H263.7644
H32H263.4124
H32H263.2664
H37H295.411
H33H303.7644
H33H303.4124
H33H303.2664
H36H325.2234
H36H324.6484
H34H343.7644
H34H343.4124
H34H343.2664
H28H373.7644
H28H373.4124
H28H373.2664
H31H383.7644
H31H383.4124
H31H383.2664
H30H403.7644
H30H403.4124
H30H403.2664

NMR experiments

1: 1D 1H, 0.5 mM
Sample: 0.5mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 1
Download time domain data: bmse000017_1.zip

2: 1D 1H, 2.0 mM
Sample: 2.0mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 2
Download time domain data: bmse000017_2.zip

3: 1D 1H
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 3
Download time domain data: bmse000017_3.zip

4: 2D [1H,1H]-TOCSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 4
Download time domain data: bmse000017_4.zip

5: 1D 13C
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 5
Download time domain data: bmse000017_5.zip

6: 1D DEPT90
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 6
Download time domain data: bmse000017_6.zip

7: 1D DEPT135
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 7
Download time domain data: bmse000017_7.zip

8: 2D [1H,13C]-HSQC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 8
Download time domain data: bmse000017_8.zip

9: 2D [1H,13C]-HMBC
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 9
Download time domain data: bmse000017_9.zip

10: 2D [1H,1H]-COSY
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 10
Download time domain data: bmse000017_10.zip

11: 2D [1H,13C]-HSQC SW small
Sample: 100mM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 400MHz

Download time domain data: bmse000017_11.zip