Supporting InformationWord格式文档下载.docx
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Supporting InformationWord格式文档下载.docx
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9a
9b
10a
10b
11ª
11b
211
[M+Ca]++
84.9771
(3.7)
84.9777
(3.0)
89.0024
(2.4)
89.0027
(5.2)
83.0019
(3.3)
96.5077(10.2)
90.0104
(4.1)
96.9998
(0.8)
96.9992
(4.9)
89.4996
(2.2)
89.4993
(6.0)
2111
[M+Ca+H2O]++
93.9833
(6.4)
93.9825
(2.3)
98.0077
(2.1)
(1.7)
92.0069
(6.0)
105.5139(9.0)
99.0151
(2.7)
106.0053(3.3)
106.0047
(2.6)
98.5049
98.5044
(7.1)
2112
[M+Ca+2H2O]++
102.9900
*
102.9875
(5.0)
107.0126
107.0131
101.0124(3.7)
114.5180(1.7)
114.5188(4.7)
108.0206(0.1)
115.0108(5.2)
115.0103
(0.7)
107.5105(0.7)
107.5105(0.8)
2113
[M+Ca+3H2O]++
111.9939
(5.4)
111.9928
(4.3)
116.0178
(1.9)
116.0184
110.0195(13.0)
123.5233(1.4)
123.524
(4.1)
117.0259(0.3)
124.0159(2.9)
124.0157
(1.3)
116.5159(2.1)
116.5153(3.4)
2114
[M+Ca+4H2O]++
120.9979
(5.3)
132.5286(1.5)
133.0210
(1.2)
125.5204(4.4)
11
[M+H]+
131.0012
(4.0)
130.9996
(8.3)
112.0510
(3.8)
112.0523
(16.1)
111.0554
(0.9)
111.0561
(7.3)
139.0499
(2.5)
139.0508
(4.5)
141.0294
(0.4)
141.0301
(4.4)
113.0349(3.4)
113.0353(6.3)
127.0495(5.9)
127.0497
(4.3)
154.0593(11.4)
154.0611(0.2)
141.0660(1.2)
141.0663(3.4)
155.0444(4.9)
155.0445(3.8)
140.0450
140.0449(4.0)
110
[M+Na]+
152.9826
(0.2)
134.0332
161.0317
161.0313
(5.1)
163.012
(3.6)
135.0160
(3.4)
135.0160
149.0312(6.7)
176.0406(14.1)
176.0422(4.7)
163.0468(5.8)
163.0481(1.7)
177.0272(0.8)
177.0269(0.6)
162.0277(0.2)
111
[M+Ca-H]+
149.9983
150.0000
176.9997
(14.5)
176.9995(13.3)
178.9777
(7.0)
178.9787(13.0)
150.9821(4.3)
150.9832(11.5)
192.0087(3.6)
179.0139(6.0)
179.0152(13.2)
177.9904(11.2)
1111
[M+Ca+H2O-H]+
168.0081
(0.1)
168.0090
(5.8)
167.0117
(6.8)
195.0086
195.008
(1.5)
196.9886
196.9884
(7.4)
168.9923(1.3)
168.9923(1.5)
210.0196(4.9)
210.0201(7.0)
197,0234(0.5)
197.0236(1.4)
211.0042(7.4)
196.0039(4.6)
196.0036(3.1)
1112
[M+Ca+2H2O-H]+
186.0174
(6.5)
213.0184
(0.6)
213.0154
214.9984
187.0024(1.2)
186.9980
*
228.0268(10.4)
228.0260(13.9)
215.0281
215.0361(10.1)
229.0147(6.6)
229.0092
214.0107(13.2)
214.0120(7.1)
11101
[M+Ca+35Cl]+
204.9252
(4.6)
204.9253
(4.8)
185.9790
184.9794(2.7)
184.9816
212.9721
(8.1)
212.9691
186.9590(4.4)
186.9550
200.9747(4.4)
200.9746(3.9)
227.9877
(13.1)
214.9909(6.6)
214.9896(0.6)
228.9667(8.9)
228.9708(9.1)
213.9642
213.9656
11111
[M+Ca+35Cl+H2O]+
222.9351
(1.0)
222.9349
203.9864
(8.2)
202.9887(3.6)
202.9911
230.9854
230.9856
204.9650
204.9682(2.6)
218.9852(3.9)
245.9928(10.1)
233.0019(8.0)
232.9973(11.8)
246.9816(9.2)
246.9805(4.7)
231.9808(4.8)
231.9812(6.7)
11121
[M+Ca+35Cl+2H2O]+
240.9448
221.9965
(5.6)
220.9987(6.1)
221.0012
248.9945
(1.7)
222.9800(3.0)
236.9954(1.7)
264.0073(5.5)
264.9914(5.8)
249.9894(3.1)
221
[2M+Ca]++
149.9747
149.975
(5.5)
131.0237
130.0284(2.4)
130.0288
158.0239
158.0235
146.0231(4.1)
146.0232
(3.5)
160.0399(0.0)
174.0192(3.7)
174.0193(4.0)
159.0190(0.2)
2211
[2M+Ca+H2O]++
158.9805
(6.6)
158.9793
(0.7)
140.0292
139.0338(1.7)
139.0346
167.0296
167.0298
141.0125(5.7)
141.0133(0.1)
155.0286(2.5)
155.0289
182.0391(4.3)
169.0444(0.9)
169.0444(1.1)
183.0251(6.9)
183.0245(3.3)
168.0250(4.6)
168.0219(13.9)
2212
[2M+Ca+2H2O]++
167.9860
(7.5)
167.9845
149.0353
(4.7)
148.0393
148.0406
(8.6)
176.0348
(3.2)
(3.1)
150.0178(5.6)
164.0340
164.0348
191.0456(2.5)
178.0494(2.8)
178.0497(1.3)
192.0297(3.0)
192.0299(3.7)
177.0283(6.6)
177.0300(2.8)
2213
[2M+Ca+3H2O]++
176.9903
176.9895
(2.8)
158.0400
157.0432(8.7)
157.0451
(2.9)
159.0224(9.1)
173.0393
(1.4)
200.0515(5.5)
187.0557(3.1)
121
[2M+Ca-H]+
261.0412
(1.6)
315.0412
263.0098(3.8)
263.0097(3.4)
345.0611(2.3)
319.0716(0.8)
319.0706(2.3)
317.0314(2.5)
1211
[2M+Ca+H2O-H]+
279.0519
337.0111
(5.9)
337.0094
281.0201(2.8)
281.0189
363.0705(5.3)
337.0816(1.1)
337.0809(3.1)
365.0405(0.2)
1212
[2M+Ca+2H2O-H]+
355.0197
12101
[2M+Ca+35Cl]+
334.9153
334.9130
(14.0)
297.0197
(7.6)
295.0252(5.9)
295.0284
(5.0)
351.0168
351.0172
298.9858
327.0183(4.8)
327.0184
355.0489(2.5)
355.0486(1.6)
383.0076(2.7)
383,0064(0,4)
353.0071(0.5)
12111
[2M+Ca+35Cl+H2O]+
352.9279
352.9302
(14.8)
315.0286
(2.0)
313.0355(6.3)
313.0379
316.9952
345.0271(0.7)
345.0278
(1.4)
373.0575(2.9)
401.0170(0.4)
231
[3M+Ca]++
214.9684
(11.4)
186.5466
185.049
227.0457
227.0462
209.0460
209.0465
(6.7)
230.0686(0.0)
230.0688(0.7)
251.0378(1.2)
251.0376(0.5)
228.5391(4.7)
2311
[3M+Ca+H2O]++
223.9759
195.5519
194.0589
236.0508
(1.8)
218.0498(2.9)
239.0747(3.4)
13101
[3M+Ca+35Cl]+
408.0598
(2.2)
495.1061(1.0)
241
[4M+Ca]++
300.0987(2.6)
TableS2.SummaryofthemostsignificantaionsobservedintheESImassspectra
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