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

23.0000

58.0651

4181440.0000

2nd isotope

3.0000

59.0491

2933069.8000

Precursor Ion must

3rd isotope

0.0000

71.0491

226509696.0000

be the greatest

4th isotope

0.0000

Running!

86.0600

10278462.0000

mass and present in

C19H27N5O4

100 23 3 0 0

100.0756

22797822.0000

one row at > 2%

112.0756

378984.2000

Element Maxima (Optional)

RunTime (sec)

180

128.0705

17886532.0000

Element

Maximum

156.1019

282839264.0000

C

191.0927

761789.3000

H

216.1004

2795423.0000

N

219.0875

8942642.0000

O

220.0954

10836541.0000

S

Import data from the SPS_Data Worksheet, Row:

231.0882

395861.3000

P

231.1239

580343.8000

F

0

0

233.1030

367052.1000

Cl

234.1110

5077507.5000

Br

235.1189

265666000.0000

247.1189

19866654.0000

Parameters

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

259.1188

3854754.5000

260.1267

3796716.2000

2.00

261.1346

2957056.2000

Error Window (millidaltons)

3

273.1349

687364.5000

275.1501

39195060.0000

292.1767

5609320.0000

302.1610

3486319.2000

374.1826

2591458.0000

Max % Isotope Ratio Error(abs)

3

375.1903

362558.9000

390.2136

66685104.0000

Subfragment Formula Restriction

1