Argon Direct Analysis in Real Time (Ar-DART) Mass Spectrometry in
Conjunction with Make-Up Solvents: A Novel Method for Analysis of Labile
Compounds
Hongmei Yang†, Debin Wan†,§, Fengrui Song†, Zhiqiang Liu†, and Shuying
Liu* ,†,‡
†
Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, 5625 Renmin
Street, Changchun 130022, China
‡
Changchun University of Chinese Medicine, Changchun 130117, China
§
Graduate School of the Chinese Academy of Sciences, Beijing 100039, China
* Corresponding author. E-mail: [email protected], [email protected].
Fax: +86 431 8526 2886. Phone: +86 431 8526 2886.
Keywords: DART MS, argon, organic solvent, labile compound
1
Supporting Information
Table S-1 The ionization energies (IEs), Proton affinities (PAs), and Bps of
organic solvents mentioned in the textS1,S2.
Name
IE (eV)
Bp (°C)
PA (kJ/mol)
·
S
[S-H]
S2
891
methanol
10.84
754.3
660
fluorobenzene
9.2
755.9
900
absolute ethanol
10.48
776.4
689
910
78
acetone
9.7
812
778
938
56-57
dichloromethane
11.33
628
acetonitrile
12.2
779.2
65
84-85
39.6
538
909
82
2
Figure Legends
Figure S-1. Ar-DART mass spectra of 2.5 mM THAP without (a) and with (b) a
make-up solvent (absolute ethanol).
Figure S-2. Ar-DART mass spectra of 2 mM HA without (a) and with (b) a make-up
solvent (absolute ethanol).
Figure S-3. The (a) Ar-DART and (b) He-DART mass spectra of the mixture of 2.5
mM DHB, THAP, and CHCA in negative ion mode. The structure of THAP is shown
in Figure S-1a. The NL value of each spectrum is labeled on the upper right corner.
3
Figure S-1
× 10 Intensity (91)
167.1
(a)
8
OH
O
CH3
6
OH
HO
MW = 168.04 Da
4
2
0
120
130
140
150
× 100 Intensity (11800)
160
m/z
170
180
190
200
180
190
200
167.1
(b)
100
80
60
40
20
0
120
130
140
150
160
m/z
170
4
Figure S-2
× 10 3 Intensity (89500)
616.4
(a)
80
O
OH
O
C
OMe
OMe
60
OH
N
OCOCH3
CH 3
40
MeO
OMe
MW = 615.30 Da
20
556.3
0
540
560
580
600
620
m/z
× 105 Intensity (5820000)
616.4
(b)
50
40
30
20
10
556.3
0
540
560
580
600
620
m/z
5
Figure S-3
NL: 2.76E4
DHB
153.1
O
100 (a)
HO
CHCA
188.1
OH
90
OH
Relative Abundance
80
DHB
MW = 154.03 Da
O
70
THAP
167.1
60
OH
50
CN
HO
40
CHCA
MW = 189.04 Da
20
10
109.2
0
100
CHCA-CO2
DHB-CO2
30
THAP-CH3CHO
144.2
123.2
120
100 (b)
90
Relative Abundance
80
140
m/z
CHCA-CO2
144.1
160
180
200
NL: 6.36E4
DHB-COOH
108.3
70
DHB-CO2
109.3
60
50
CHCA
188.0
DHB
153.1
THAP
167.0
THAP-CH3CHO
123.2
40
30
20
10
0
100
120
140
m/z
160
180
200
6
References
S1. NIST Chemistry Web Book, http://webbook.nist.gov/chemistry/.
S2. Song, L.; Gibson, S. C.; Bhandari, D.; Kelsey D. Cook, K. D.; Bartmess, J. E.
Anal. Chem. 2009, 81, 10080-10088.
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