ESI-MS-adducts.xlsx

	A	B	C	D	E	G	I	L
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4	Tobias Kind
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6	Table 1. Monoisotopic exact masses of molecular ion adducts
7	often observed in ESI mass spectra					Your M here:	Your M+X or M-X
8						364.03000	230.0373
9	Ion name	Ion mass	Charge	Mult	Mass	Result:	Reverse:
10	1. Positive ion mode							http://dx.doi.org/10.1016/S1044-0305(99)00089-6
11	M+3H	M/3 + 1.007276	3+	0.33	1.007276	122.350609	75.671824
12	M+2H+Na	M/3 + 8.334590	3+	0.33	8.334590	129.677923	68.344510	Use Molecular Weight Calculator
13	M+H+2Na	M/3 + 15.7661904	3+	0.33	15.766190	137.109524	60.912910	http://www.alchemistmatt.com/mwtwin.html
14	M+3Na	M/3 + 22.989218	3+	0.33	22.989218	144.332551	53.689882	http://ncrr.pnl.gov/software/
15	M+2H	M/2 + 1.007276	2+	0.5	1.007276	183.022276	114.011374
16	M+H+NH4	M/2 + 9.520550	2+	0.5	9.520550	191.535550	105.498100
17	M+H+Na	M/2 + 11.998247	2+	0.5	11.998247	194.013247	103.020403	(actually this task should be done by every good
18	M+H+K	M/2 + 19.985217	2+	0.5	19.985217	202.000217	95.033433	LC-MS software automatically, directly integrated,
19	M+ACN+2H	M/2 + 21.520550	2+	0.5	21.520550	203.535550	93.498100	no questions asked)
20	M+2Na	M/2 + 22.989218	2+	0.5	22.989218	205.004218	92.029432
21	M+2ACN+2H	M/2 + 42.033823	2+	0.5	42.033823	224.048823	72.984827
22	M+3ACN+2H	M/2 + 62.547097	2+	0.5	62.547097	244.562097	52.471553
23	M+H	M + 1.007276	1+	1	1.007276	365.037276	229.030024
24	M+NH4	M + 18.033823	1+	1	18.033823	382.063823	212.003477
25	M+Na	M + 22.989218	1+	1	22.989218	387.019218	207.048082
26	M+CH3OH+H	M + 33.033489	1+	1	33.033489	397.063489	197.003811
27	M+K	M + 38.963158	1+	1	38.963158	402.993158	191.074142
28	M+ACN+H	M + 42.033823	1+	1	42.033823	406.063823	188.003477
29	M+2Na-H	M + 44.971160	1+	1	44.971160	409.001160	185.066140
30	M+IsoProp+H	M + 61.06534	1+	1	61.065340	425.095340	168.971960
31	M+ACN+Na	M + 64.015765	1+	1	64.015765	428.045765	166.021535
32	M+2K+H	M + 76.919040	1+	1	76.919040	440.949040	153.118260
33	M+DMSO+H	M + 79.02122	1+	1	79.021220	443.051220	151.016080
34	M+2ACN+H	M + 83.060370	1+	1	83.060370	447.090370	146.976930
35	M+IsoProp+Na+H	M + 84.05511	1+	1	84.055110	448.085110	145.982190
36	2M+H	2M + 1.007276	1+	2	1.007276	729.067276	459.067324
37	2M+NH4	2M + 18.033823	1+	2	18.033823	746.093823	442.040777
38	2M+Na	2M + 22.989218	1+	2	22.989218	751.049218	437.085382
39	2M+3H2O+2H	2M + 28.02312	2+	2	28.023120	756.083120	432.051480
40	2M+K	2M + 38.963158	1+	2	38.963158	767.023158	421.111442
41	2M+ACN+H	2M + 42.033823	1+	2	42.033823	770.093823	418.040777
42	2M+ACN+Na	2M + 64.015765	1+	2	64.015765	792.075765	396.058835
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46	2. Negative ion mode
47	M-3H	M/3 - 1.007276	3-	0.3333333333	-1.007276	120.336057	77.686376
48	M-2H	M/2 - 1.007276	2-	0.5	-1.007276	181.007724	116.025926
49	M-H2O-H	M- 19.01839	1-	1	-19.01839	345.011610	249.055690
50	M-H	M - 1.007276	1-	1	-1.007276	363.022724	231.044576
51	M+Na-2H	M + 20.974666	1-	1	20.974666	385.004666	209.062634
52	M+Cl	M + 34.969402	1-	1	34.969402	398.999402	195.067898
53	M+K-2H	M + 36.948606	1-	1	36.948606	400.978606	193.088694
54	M+FA-H	M + 44.998201	1-	1	44.998201	409.028201	185.039099
55	M+Hac-H	M + 59.013851	1-	1	59.013851	423.043851	171.023449
56	M+Br	M + 78.918885	1-	1	78.918885	442.948885	151.118415
57	M+TFA-H	M + 112.985586	1-	1	112.985586	477.015586	117.051714
58	2M-H	2M - 1.007276	1-	2	-1.007276	727.052724	461.081876
59	2M+FA-H	2M + 44.998201	1-	2	44.998201	773.058201	415.076399
60	2M+Hac-H	2M + 59.013851	1-	2	59.013851	787.073851	401.060749
61	3M-H	3M - 1.007276	1-	3	1.007276	1093.097276	689.104624
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