MS/MS Data (ms2)		0	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		15.0000
89.0386	18		2nd isotope		1.0000
91.0543	34	Precursor Ion must	3rd isotope		0.0000
116.0495	22	be the greatest	4th isotope
117.0574	39	mass and present in
152.0621	83	one row at > 2%
165.0700	76		Element Maxima (Optional)
166.0657	11		Element	Maximum
166.0781	20		C	14
167.0730	111		H	11
167.0852	34		N	1
176.0622	31		O	0
177.0702	23		S	0			Import data from the SPS_Data Worksheet, Row:
178.0652	77		P	0
178.0778	20		F	0				0
179.0730	550		Cl	0
191.0730	19		Br	0
192.0810	218
193.0888	999		Parameters				Retention Time Maximum Drift in minutes (for SPS_Worksheet use only)
194.0964	1001
194.0965	762							2.00
			Error Window (millidaltons)	3
							MB Spectrum	LU126306	LU126306
								Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E.
			Max % Isotope Ratio Error(abs)	3			Contributors
							Compound	Diphenylacetonitrile
							Formula	C14H11N
							Exact Mass	193.0891
			Subfragment Formula Restriction				Pubchem ID	6837	16231
				1			Instrument	Q Exactive Orbitrap (Thermo Scientific)
							Ion Mode	POSITIVE
							Collision Energy	90
							Precursor Int	762