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. 2013 Mar;195(5):977–989. doi: 10.1128/JB.01274-12

Table 3.

Ions present in MALDI-TOF spectra of hydrofluoric acid-released SCWP from wild-type and patA1 patA2 mutant murein sacculi of B. anthracis Sternea

Observed m/z in:
 Proposed compositionb Theoretical m/z (monoisotopic) WT Δm/zd patA1 patA2 mutant Δm/ze
WT strainc patA1 patA2 mutant
1,094.792 1,094.636 HexNAc2-GlcN-Gal3 1,094.39 −0.41 −0.25
1,136.849** 1,136.826 HexNAc3-Gal3 1,136.40 −0.45 −0.43
1,177.869 1,177.868 HexNAc4-Gal2 1,177.42 −0.45 −0.44
1,218.926 1,218.920 HexNAc5-Gal 1,218.45 −0.48 −0.47
1,338.926 1,338.926 HexNAc4-Gal3 1,339.48 0.55 0.55
1,380.005 1,379.966 HexNAc5-Gal2 1,380.50 0.50 0.54
1,460.034 1,460.014 HexNAc3-GlcN-Gal4 1,459.52 −0.52 −0.50
1,500.091* 1,500.061 HexNAc4-GlcN-Gal3 1,500.55 0.45 0.48
1,542.101 1,542.114 HexNAc5-Gal3 1,542.56 0.45 0.44
1,584.103* 1,583.995 HexNAc6-Gal2 1,583.58 −0.52 −0.41
1,662.177 1,662.183 HexNAc4-GlcN-Gal4 1,662.60 0.42 0.41
1,704.213 1,704.212 HexNAc5- Gal4 1,704.61 0.40 0.40
1,746.253 1,746.257 HexNAc6- Gal3 1,745.63 −0.62 −0.62
1,824.292 1,824.292 HexNAc4-GlcN-Gal5 1,824.65 0.36 0.36
1,866.287 1,866.282 HexNAc5-Gal5 1,866.66 0.37 0.38
1,908.304* 1,908.318 HexNAc6-Gal4 1,907.69 −0.62 −0.63
1,986.422 1,986.356 HexNAc5-GlcN-Gal6 1,986.70 0.28 0.35
2,028.405 2,028.377 HexNAc5-Gal6 2,028.71 0.31 0.34
2,070.431* 2,070.403 HexNAc6-Gal5 2,069.74 −0.69 −0.66
2,232.542* 2,232.519 HexNAc6-Gal6 2,231.79 −0.75 −0.73
2,392.756 2,392.413 HexNAc5-GlcN- Gal6 2,392.86 0.11 0.45
2,434.629 2,434.629 HexNAc6-Gal6 2,434.87 0.24 0.24
2,476.694 2,476.520 HexNAc8-Gal5 2,475.90 −0.79 −0.62
2,554.825 2,554.663 HexNAc6-GlcN-Gal7 2,554.91 0.09 0.25
2,596.851 2,596.683 HexNAc7-Gal7 2,596.93 0.07 0.24
2,638.864 2,638.688 HexNAc8-Gal6 2,637.95 −0.91 −0.74
2,758.834 2,758.651 HexNAc7-GlcN-Gal7 2,757.99 −0.84 −0.83
2,800.836 2,800.651 HexNAc8-Gal7 2,800.00 −0.83 −0.65
2,920.999 2,920.999 HexNAc7-GlcN-Gal8 2,920.05 −0.95 −0.95
2,963.070 2,963.070 HexNAc8-Gal8 2,962.06 −1.01 −1.01
a

Ion signals and proposed composition of compounds from MALDI-TOF mass spectra of rpHPLC-purified SCWPs from wild-type B. anthracis Sterne and the patA1 patA2 strain.

b

HexNAc, ManNAc (N-acetylmannosaminyl) and GlcNAc (N-acetylglucosaminyl); GlcN, glucosaminyl; Gal, galactosyl. The SCWP isolated from wild-type and the patA1 patA2 mutant strains generated nearly identical sets of ions, similar to spectra characterizing the SCWP structure. The proposed composition was derived from sodiated, positively charged ions. Of note, additional compositional explanations for the observed masses exist; however, they are not listed here.

c

Observed ions noted with a single asterisk (*) were accompanied by less intense ions with an additional m/z 15.999 and were interpreted as oxygen adducts of the parent ion. The ion noted with a double asterisk (**) was accompanied by a less intense ion with reduced m/z 2.011; this accompanying ion was interpreted as an oxygen adduct (+15.999) and dehydration product (−18.01) of the parent ion.

d

Theoretical m/z − observed WT m/z.

e

Theoretical m/z − observed patA1 patA2 mutant m/z.