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Supplement material to Ref. JASMS Ms. No. 2012-5464 Detection of an amine impurity and quality assessment related to this impurity of the UV MALDI matrix  -cyano-4-hydroxy-cinnamic acid for the analysis of peptides in the attomole range

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Supplement material to Ref. JASMS Ms. No. 2012-5464

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Supplement material to ref jasms ms no 2012 5464

Supplement material

to

Ref. JASMS Ms. No. 2012-5464

Detection of an amine impurity and quality assessment related to this impurity of the UV MALDI matrix -cyano-4-hydroxy-cinnamic acid for the analysis of peptides in the attomole range

Justyna Rechthaler, Ernst Pittenauer, Tanner M. Schaub and Günter Allmaier


Supplement material to ref jasms ms no 2012 5464

Legends to Figures in the Supplement

Figure 1S Positive-ion MALDI mass spectra (curved field reflectron mode) of two CHCA matrix batches: matrix B (a) and matrix E (b). Matrix solvent: acetone. The mass spectrum (a) exhibits a [M+H]+/[M*+H]+ ratio > 1, which represents a high quality matrix, and the following spectrum (b) a [M+H]+/[M*+H]+ ratio < 1 representing a matrix of lower quality.

Figure 2S Comparison of the [M+H]+/[M*+H]+ (a) and [2M+H]+/[M*+H]+ (b) ratios of five various CHCA matrix batches (A, B, C, D and E, matrix solvent: acetone) obtained on a bench-top (MALDI IV) and floor-standing high resolution TOF instrument (AXIMA-CFR).

Figure 3S Positive-ion MALDI FT-ICR mass spectrum of the matrix E (including highest amount of the contaminant) with the region around m/z 102. The spectrum was internally calibrated with following matrix signals: [M-CO2+H]+, [M-H2O+H]+ and [M+H]+. The RMS error on the three point calibration was -1.22 ppm. The mass spectrometric resolving power observed for the m/z 102.1276 signal was 230000 (FWHM).

Figure 4S Positive-ion MALDI high energy (ELab 2 keV) CID (LinTOF/RTOF) mass spectrum of the precursor ion m/z 102.2 (derived from matrix E in acetone).


Supplement material to ref jasms ms no 2012 5464

Fig. 1S a

[M+H]+

%Int.

190

100

90

[M-H2O+H]+

80

172

70

60

50

[M*+H]+

40

280

102

[2M+H]+

[M-CO2+Na]+

[M+Na]+

30

168

212

379

20

10

0

100

120

140

160

180

200

220

240

260

280

300

320

340

360

380

400

Mass/Charge


Supplement material to ref jasms ms no 2012 5464

Fig. 1S b

[M*+H]+

%Int.

102

100

90

80

70

60

50

40

[M-CO2+Na]+

[M+Na]+

[M+H]+

30

190

172

[2M+H]+

20

212

379

10

0

100

120

14

0

160

180

200

220

240

260

280

300

320

340

360

380

400

Mass/Charge


Supplement material to ref jasms ms no 2012 5464

Fig. 2S a


Supplement material to ref jasms ms no 2012 5464

Fig. 2S b


Supplement material to ref jasms ms no 2012 5464

Fig. 3S

[M*+H]+

102.1276

12C6H16N1 observed at m/z: 102.1276

Theoretical mass at m/z: 102.12772

Error: –1.2ppm

m/z

102.1

102.2

102.3

102.4


Supplement material to ref jasms ms no 2012 5464

H

H

Fig. 4S

Precursor ion

C6H16N

[M*+H]+

58.14

600

Intensity

72.16

73.17

59.14

74.18

44.11

60.16

102.20

0

60

30

20

40

90

70

80

50

100

m/z


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