MS/MS Data (ms2)		TRUE	Isotope (ms1) Data
		TRUE		Mass (optional)	Intensity
Mass	Intensity		Molecular Ion		77.0000		Copyright 2013-2022 MathSpec, Inc.                                     US patent no. 8344315
		FALSE	1st isotope		15.0000
78.9189	999		2nd isotope		100.0000
120.0453	17	Precursor Ion must	3rd isotope		19.0000
161.0157	14	be the greatest	4th isotope
179.0017	23	mass and present in
196.9924	130	one row at > 2%
253.0175	28		Element Maxima (Optional)
438.9502	1001		Element	Maximum
			C	17
			H	11
			N	2
			O	4
			S	0			Import data from the SPS_Data Worksheet, Row:
			P	0
			F	1				0
			Cl	1
			Br	1
			Parameters				Retention Time Maximum Drift in minutes (for SPS_Worksheet use only)
								2.00
			Error Window (millidaltons)	3
							MB Spectrum	LU022255	LU022255
								Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E.
			Max % Isotope Ratio Error(abs)	3			Contributors
							Compound	Zenarestat
							Formula	C17H11BrClFN2O4
							Exact Mass	439.9575
			Subfragment Formula Restriction				Pubchem ID	5724	9502
				1			Instrument	Q Exactive Orbitrap (Thermo Scientific)
							Ion Mode	NEGATIVE
							Collision Energy	75
							Precursor Int	0