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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

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


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).


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


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




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


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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