MS/MS Data (ms2)		TRUE	Isotope (ms1) Data
		TRUE		Mass (optional)	Intensity
Mass	Intensity		Molecular Ion		100.0000		Copyright 2013-2022 MathSpec, Inc.                                     US patent no. 8344315
		FALSE	1st isotope		17.0000
61.9706	81		2nd isotope		38.0000
63.9624	18	Precursor Ion must	3rd isotope		6.0000
77.9655	77	be the greatest	4th isotope
79.9812	544	mass and present in
90.0349	40	one row at > 2%
91.0190	23		Element Maxima (Optional)
108.0217	17		Element	Maximum
125.9878	16		C	14
126.0116	59		H	11
126.9957	20		N	2
146.0248	999		O	4
153.9969	95		S	1			Import data from the SPS_Data Worksheet, Row:
189.9736	207		P	0
194.0611	14		F	0				0
219.0563	53		Cl	1
220.0405	12		Br	0
235.0513	50
256.0175	11		Parameters				Retention Time Maximum Drift in minutes (for SPS_Worksheet use only)
283.0182	61
337.0055	1001							2.00
			Error Window (millidaltons)	3
							MB Spectrum	EQ313453	EQ313453
								Beck B, Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag
			Max % Isotope Ratio Error(abs)	3			Contributors
							Compound	Chlorthalidone
							Formula	C14H11ClN2O4S
							Exact Mass	338.01281
			Subfragment Formula Restriction				Pubchem ID	2732	37208
				1			Instrument	Q Exactive Orbitrap Thermo Scientific
							Ion Mode	NEGATIVE
							Collision Energy	45
							Precursor Int	0