MS/MS Data (ms2)

FALSE

Isotope (ms1) Data

TRUE

Mass (optional)

Intensity

Mass

Intensity

Molecular Ion

100.0000

Copyright 2013-2020 MathSpec, Inc. US patent no. 8344315

FALSE

1st isotope

20.0000

129.0698

348.0000

2nd isotope

2.0000

157.1002

1748.0000

Precursor Ion must

3rd isotope

0.0000

175.1118

564.0000

be the greatest

4th isotope

0.0000

Running!

185.0951

920.0000

mass and present in

C18H24O2

100 20 2 0 0

197.1313

552.0000

one row at > 2%

198.1386

432.0000

Element Maxima (Optional)

RunTime (sec)

13

212.1556

1300.0000

Element

Maximum

213.1603

384.0000

C

225.1276

2452.0000

H

226.0425

2236.0000

N

226.1322

1068.0000

O

227.1776

1136.0000

S

Import data from the SPS_Data Worksheet, Row:

228.1826

380.0000

P

240.1499

4148.0000

F

0

0

241.1529

1180.0000

Cl

255.1734

10640.0000

Br

256.1772

2648.0000

257.1783

328.0000

Parameters

Retention Time Maximum Drift in minutes (for SPS_Worksheet use only)

273.1846

1216.0000

2.00

Error Window (millidaltons)

3

Max % Isotope Ratio Error(abs)

3

Subfragment Formula Restriction

1