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Table 1.

Monoisotopic exact masses of molecular ion adducts


often observed in ESI mass spectra
Ion name
1. Positive ion mode
M+3H
M+2H+Na
M+H+2Na
M+3Na
M+2H
M+H+NH4
M+H+Na
M+H+K
M+ACN+2H
M+2Na
M+2ACN+2H
M+3ACN+2H
M+H
M+NH4
M+Na
M+CH3OH+H
M+K
M+ACN+H
M+2Na-H
M+IsoProp+H
M+ACN+Na
M+2K+H
M+DMSO+H
M+2ACN+H
M+IsoProp+Na+H
2M+H
2M+NH4
2M+Na
2M+3H2O+2H
2M+K
2M+ACN+H
2M+ACN+Na

2. Negative ion mode


M-3H
M-2H
M-H2O-H
M-H
M+Na-2H
M+Cl
M+K-2H
M+FA-H
M+Hac-H
M+Br
M+TFA-H
2M-H
2M+FA-H
2M+Hac-H
3M-H

Your M here:
430.17150
Result:

Ion mass

Charge Mult Mass

M/3 + 1.007276
M/3 + 8.334590
M/3 + 15.7661904
M/3 + 22.989218
M/2 + 1.007276
M/2 + 9.520550
M/2 + 11.998247
M/2 + 19.985217
M/2 + 21.520550
M/2 + 22.989218
M/2 + 42.033823
M/2 + 62.547097
M + 1.007276
M + 18.033823
M + 22.989218
M + 33.033489
M + 38.963158
M + 42.033823
M + 44.971160
M + 61.06534
M + 64.015765
M + 76.919040
M + 79.02122
M + 83.060370
M + 84.05511
2M + 1.007276
2M + 18.033823
2M + 22.989218
2M + 28.02312
2M + 38.963158
2M + 42.033823
2M + 64.015765

3+
3+
3+
3+
2+
2+
2+
2+
2+
2+
2+
2+
1+
1+
1+
1+
1+
1+
1+
1+
1+
1+
1+
1+
1+
1+
1+
1+
2+
1+
1+
1+

0.33
0.33
0.33
0.33
0.5
0.5
0.5
0.5
0.5
0.5
0.5
0.5
1
1
1
1
1
1
1
1
1
1
1
1
1
2
2
2
2
2
2
2

1.007276
8.334590
15.766190
22.989218
1.007276
9.520550
11.998247
19.985217
21.520550
22.989218
42.033823
62.547097
1.007276
18.033823
22.989218
33.033489
38.963158
42.033823
44.971160
61.065340
64.015765
76.919040
79.021220
83.060370
84.055110
1.007276
18.033823
22.989218
28.023120
38.963158
42.033823
64.015765

144.397776
151.725090
159.156690
166.379718
216.093026
224.606300
227.083997
235.070967
236.606300
238.074968
257.119573
277.632847
431.178776
448.205323
453.160718
463.204989
469.134658
472.205323
475.142660
491.236840
494.187265
507.090540
509.192720
513.231870
514.226610
861.350276
878.376823
883.332218
888.366120
899.306158
902.376823
924.358765

M/3 - 1.007276
M/2 - 1.007276
M- 19.01839
M - 1.007276
M + 20.974666
M + 34.969402
M + 36.948606
M + 44.998201
M + 59.013851
M + 78.918885
M + 112.985586
2M - 1.007276
2M + 44.998201
2M + 59.013851
3M - 1.007276

321111111111111-

0.33 -1.007276
0.5 -1.007276
1 -19.01839
1 -1.007276
1 20.974666
1 34.969402
1 36.948606
1 44.998201
1 59.013851
1 78.918885
1 112.985586
2 -1.007276
2 44.998201
2 59.013851
3
1.007276

142.383224
214.078474
411.153110
429.164224
451.146166
465.140902
467.120106
475.169701
489.185351
509.090385
543.157086
859.335724
905.341201
919.356851
1291.521776

M is the MW, ACN is acetonitrile, DMSO is dimethylsulfoxide, FA is


formic acid, HAc is acetic acid, TFA is trifluoroacetic acid, IsoProp
is Isopropanol, MeOH, CH3OH is methanol

Your M+X or M-X


514.28369
Reverse:
http://dx.doi.org/10.1016/S1044-0305(99)00089-6
170.420621
163.093307
155.661706
148.438679
256.134569
247.621295
245.143598
237.156628
235.621295
234.152627
215.108022
194.594748
513.276414
496.249867
491.294472
481.250201
475.320532
472.249867
469.312530
453.218350
450.267925
437.364650
435.262470
431.223320
430.228580
1027.560104
1010.533557
1005.578162
1000.544260
989.604222
986.533557
964.551615

172.435173
258.149121
533.302080
515.290966
493.309024
479.314288
477.335084
469.285489
455.269839
435.364805
401.298104
1029.574656
983.569179
969.553529
1541.843794

Use Molecular Weight Calculator


http://www.alchemistmatt.com/mwtwin.html
http://ncrr.pnl.gov/software/

Example:
1) Find Adduct
Taxol, C47H51NO14, M=853.33089
Enter 853.33089 in green box read M+22.9, m/z=876.320108
2) Reverse take 12 Tesla-FT-MS result out of MS m/z=876.330
suspect M+Na adduct, read M=853.340782, enter this value into
formula finder with 2 ppm mass accuracy (CHNSOP enabled)
get some thousand results, compare isotopic pattern

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