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						366.05200
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	123.024609	-1.007276
12	M+2H+Na	M/3 + 8.334590	3+	0.33	8.334590	130.351923	-8.334590	Use Molecular Weight Calculator
13	M+H+2Na	M/3 + 15.7661904	3+	0.33	15.766190	137.783524	-15.766190	http://www.alchemistmatt.com/mwtwin.html
14	M+3Na	M/3 + 22.989218	3+	0.33	22.989218	145.006551	-22.989218	http://ncrr.pnl.gov/software/
15	M+2H	M/2 + 1.007276	2+	0.5	1.007276	184.033276	-1.007276
16	M+H+NH4	M/2 + 9.520550	2+	0.5	9.520550	192.546550	-9.520550
17	M+H+Na	M/2 + 11.998247	2+	0.5	11.998247	195.024247	-11.998247	(actually this task should be done by every good
18	M+H+K	M/2 + 19.985217	2+	0.5	19.985217	203.011217	-19.985217	LC-MS software automatically, directly integrated,
19	M+ACN+2H	M/2 + 21.520550	2+	0.5	21.520550	204.546550	-21.520550	no questions asked)
20	M+2Na	M/2 + 22.989218	2+	0.5	22.989218	206.015218	-22.989218
21	M+2ACN+2H	M/2 + 42.033823	2+	0.5	42.033823	225.059823	-42.033823
22	M+3ACN+2H	M/2 + 62.547097	2+	0.5	62.547097	245.573097	-62.547097
23	M+H	M + 1.007276	1+	1	1.007276	367.059276	-1.007276
24	M+NH4	M + 18.033823	1+	1	18.033823	384.085823	-18.033823
25	M+Na	M + 22.989218	1+	1	22.989218	389.041218	-22.989218
26	M+CH3OH+H	M + 33.033489	1+	1	33.033489	399.085489	-33.033489
27	M+K	M + 38.963158	1+	1	38.963158	405.015158	-38.963158
28	M+ACN+H	M + 42.033823	1+	1	42.033823	408.085823	-42.033823
29	M+2Na-H	M + 44.971160	1+	1	44.971160	411.023160	-44.971160
30	M+IsoProp+H	M + 61.06534	1+	1	61.065340	427.117340	-61.065340
31	M+ACN+Na	M + 64.015765	1+	1	64.015765	430.067765	-64.015765
32	M+2K+H	M + 76.919040	1+	1	76.919040	442.971040	-76.919040
33	M+DMSO+H	M + 79.02122	1+	1	79.021220	445.073220	-79.021220
34	M+2ACN+H	M + 83.060370	1+	1	83.060370	449.112370	-83.060370
35	M+IsoProp+Na+H	M + 84.05511	1+	1	84.055110	450.107110	-84.055110
36	2M+H	2M + 1.007276	1+	2	1.007276	733.111276	-1.007276
37	2M+NH4	2M + 18.033823	1+	2	18.033823	750.137823	-18.033823
38	2M+Na	2M + 22.989218	1+	2	22.989218	755.093218	-22.989218
39	2M+3H2O+2H	2M + 28.02312	2+	2	28.023120	760.127120	-28.023120
40	2M+K	2M + 38.963158	1+	2	38.963158	771.067158	-38.963158
41	2M+ACN+H	2M + 42.033823	1+	2	42.033823	774.137823	-42.033823
42	2M+ACN+Na	2M + 64.015765	1+	2	64.015765	796.119765	-64.015765
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46	2. Negative ion mode
47	M-3H	M/3 - 1.007276	3-	0.3333333333	-1.007276	121.010057	1.007276
48	M-2H	M/2 - 1.007276	2-	0.5	-1.007276	182.018724	1.007276
49	M-H2O-H	M- 19.01839	1-	1	-19.01839	347.033610	19.018390
50	M-H	M - 1.007276	1-	1	-1.007276	365.044724	1.007276
51	M+Na-2H	M + 20.974666	1-	1	20.974666	387.026666	-20.974666
52	M+Cl	M + 34.969402	1-	1	34.969402	401.021402	-34.969402
53	M+K-2H	M + 36.948606	1-	1	36.948606	403.000606	-36.948606
54	M+FA-H	M + 44.998201	1-	1	44.998201	411.050201	-44.998201
55	M+Hac-H	M + 59.013851	1-	1	59.013851	425.065851	-59.013851
56	M+Br	M + 78.918885	1-	1	78.918885	444.970885	-78.918885
57	M+TFA-H	M + 112.985586	1-	1	112.985586	479.037586	-112.985586
58	2M-H	2M - 1.007276	1-	2	-1.007276	731.096724	1.007276
59	2M+FA-H	2M + 44.998201	1-	2	44.998201	777.102201	-44.998201
60	2M+Hac-H	2M + 59.013851	1-	2	59.013851	791.117851	-59.013851
61	3M-H	3M - 1.007276	1-	3	1.007276	1099.163276	-1.007276
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