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		22.0000
67.0191	13		2nd isotope		8.0000
68.9982	21	Precursor Ion must	3rd isotope		1.0000
69.0346	21	be the greatest	4th isotope
71.0139	12	mass and present in
72.9932	14	one row at > 2%
78.0349	86		Element Maxima (Optional)
82.0059	40		Element	Maximum
90.0349	96		C	18
91.0190	33		H	14
91.0302	233		N	4
92.0268	84		O	5
93.0346	49		S	1			Import data from the SPS_Data Worksheet, Row:
93.0459	31		P	0
95.0139	999		F	0				0
97.0295	14		Cl	0
106.0061	56		Br	0
107.0378	13
108.0217	928		Parameters				Retention Time Maximum Drift in minutes (for SPS_Worksheet use only)
118.0298	43
122.0248	90							2.00
123.0088	139		Error Window (millidaltons)	3
139.0555	13
143.0503	42
158.0485	38						MB Spectrum	LU104756	LU104756
167.0502	137							Kondić, T.;Singh, R.;Elapavalore, A.;Schymanski, E.
167.0615	23		Max % Isotope Ratio Error(abs)	3			Contributors
169.0660	20
183.0453	14						Compound	Sulfasalazine
183.0565	18						Formula	C18H14N4O5S
195.0567	19						Exact Mass	398.0685
196.0638	18		Subfragment Formula Restriction				Pubchem ID	5339	443391
197.0720	35			1			Instrument	Q Exactive Orbitrap (Thermo Scientific)
212.0593	23						Ion Mode	NEGATIVE
397.0612	1001						Collision Energy	90
							Precursor Int	0