Corrigendum

Received: 07 May 2015, Accepted: 8 May 2015, Published online in Wiley Online Library

(wileyonlinelibrary.com) DOI: 10.1002/nbm.3336

Corrigendum: Proton NMR chemical shifts and

coupling constants for brain metabolites.
Govindaraju V, Young K, Maudsley AA, NMR
Biomed. 2000; 13: 129–153
Varan Govind*, Karl Young and Andrew A. Maudsley
*Correspondence to: V. Govind, Professional Arts Center, Department of Radiology (R-130), University of Miami Miller School of Medicine, 1150
NW 14th Street, Suite 713, Miami, FL 33136, USA.
E-mail: vgovind@med.miami.edu

Varan Govind, Karl Young, Andrew A Maudsley

Department of Radiology, University of Miami, Miami, USA

Table 1. Corrected and additional J-coupling values for eight compounds indicated by bold type

Compound Group Shift (ppm) in H2O Shift (ppm) in D2O Multiplicity J (Hz) Connectivity
γ-Aminobutyric acid 2
CH2 2.2840 2.2828 t 7.755 2-3
6.173 2-3’
3
CH2 1.8890 1.8888 qu 7.432 2’-3
7.933 2’-3’
4
CH2 3.0128 3.0082 t 5.372 3-4
10.578 3-4’
7.127 3’-4
6.982 3’-4’
10.744 2-2’
13.121 3-3’
12.021 4-4’
1
Choline CH2 4.0540 4.0500 m 14.100 1-1’
2
CH2 3.5010 3.5060 m 14.070 2-2’
1
Ethanolamine CH2 3.8184 m 10.640 1-1’
2
CH2 3.1467 m 11.710 2-2’
Glycerophosphocholine
1
Glycerol moiety CH2 3.605 dd 14.78 1-1’
3.672 dd
3
CH2 3.871 m 14.78 3-3’
3.946 m
7
Choline moiety CH2 4.312 m 9.32 7-7’
8
CH2 3.659 m 9.32 8-8’
β
Histamine CH2 3.2916 3.3148 t 8.147 α-β’
1
Phosphorylcholine CH2 4.2805 4.2851 m 14.890 1-1’
2
CH2 3.6410 3.6440 m 14.190 2-2’
N(CH3)3 3.2080 3.2100 s 6.249 1’-P
1
Phosphorylethanolamine CH2 3.9765 3.9825 m 2.980 1’-2’
14.560 1-1’
2
CH2 3.2160 3.2150 m 14.710 2-2’
1
Taurine CH2 3.4206 3.4190 t 6.792 1’-2’
12.438 1-1’
2
CH2 3.2459 3.2473 t 12.930 2-2’
923

dd, doublet of doublets; m, multiplet; qu, quintet; s, singlet; t, triplet.

NMR Biomed. 2015; 28: 923–924 Copyright © 2015 John Wiley & Sons, Ltd.

The chemical shifts and coupling constants for 35 metabolites of in-
terest for in vivo MRS studies of the brain were listed in Table 1 in this
article. Since its publication, we have noted typographical errors
and/or omissions for eight of these metabolites and this has been
further highlighted by Kreis et al. (1). The corrected and additional
parameters of these metabolites are provided in Table 1. For conve-
nience, the full table is provided as Supporting Information.
In the specific case of γ-aminobutyric acid (GABA), although
we have provided updated values, we alternatively recommend
further optimized values (2) obtained using the same experimen-
tal data, or a new set of values published recently (3).
We would like to indicate that the additional parameters,
which are the geminal J-coupling values, have only a small effect
on the spectral patterns of the upfield part of the spectrum.
Furthermore, we would like to reiterate that the accuracy of
the spectral parameter determination can be limited in complex
spectral patterns and that values may be altered in vivo as a
result of local cellular environmental differences and magnetic
924
wileyonlinelibrary.com/journal/nbm Copyright © 2015 John Wiley & Sons, Ltd.
CORRIGENDUM
field strength. Spectral analysis methods must therefore take
these potential differences into account.
REFERENCES
1. Kreis R, Bolliger CS. The need for updates of spin system parameters,
illustrated for the case of gamma-aminobutyric acid. NMR Biomed.
2012; 25: 1401–1403.
2. Kaiser LG, Young K, Meyerhoff DJ, Mueller SG, Matson GB. A detailed
analysis of localized J-difference GABA editing: theoretical and exper-
imental study at 4 T. NMR Biomed. 2008; 21: 22–32.
3. Near J, Evans CJ, Puts NA, Barker PB, Edden RA. J-difference editing of
gamma-aminobutyric acid (GABA): simulated and experimental multi-
plet patterns. Magn. Reson. Med. 2013; 70: 1183–1191.
SUPPORTING INFORMATION
Additional supporting information may be found in the online
version of this article at the publisher’s web site.
NMR Biomed. 2015; 28: 923–924