Chemicals for MSTOF lab.xlsx

	A	B	C	D	E	F	G	H	I	J	K	L	M	N	O	P	Q	R	S	T	U	V	W
1			mass of electron	0.000549
2	Mass	Mass	[M+H]	Mass	Compound	Description	CAS	C	H	D	N	O	P	S	Cl	F	Br	Si	Na	K	W	Sn	I
3	Error (ppm)	Measured	Calculated	Calculated				12.000000	1.007825	2.014102	14.003074	15.994915	30.973762	31.972071	34.968853	18.998403	78.918338	27.976927	22.989769	39.098300	183.950953	119.902199	126.904477

4	0.1	285.02077	285.020750	284.01347	Sulfachloropyridazine			10	9		4	2		1	1
5
6				168.04226	Vanillic acid	C8H8O4		8	8			4
7				152.04734	p-Coumaric acid	C9H8O3		8	8			3
8				278.08375	Sulfamethazine	C12H14N4O2S		12	14		4	2		1
9				310.07358	Sulfadimethoxine	C12H14N4O4S		12	14		4	4		1
10				270.02452	Sulfamethizole	C9H10N4O2S2		9	10		4	2		2
11				194.05791	Dimethylphthalate			10	10			4
12				390.27701	Dioctylphthalate			24	38			4
13				278.15181	Dibutylphthalate			16	22			4
14				307.14514	Tebuconazole	C16H22ClN3O		16	22		3	1			1
15				341.06978	Propiconazole	C15H17Cl2N3O2		15	17		3	2			2
16				280.99128	IPBC	C8H12INO2		8	12		1	2											1
17				124.05243	Guaiacol	C7H8O2		7	8			2
18				154.06299	Syringol	C8H10O3		8	10			3
19				106.04186	Benzaldehyde	C7H6O		7	6			1
20				122.03678	Salicaldehyde	C7H6O2		7	6			2
21
22
23				386.01208	Pentadecafluorooctanoic acid	C8HF15O2		8	1	2						15
24				144.18470	Decanoic acid	C10H20O2		10	20	2
25				214.26295	Methyl myristate	C15H30O2		15	30	2
26				180.06339	D-glucose	C6H12O6		6	12			6
27				342.11621	Sucrose			12	22			11
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