Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Analysis Name: PEPTIDO.d Instrument: LC-MSD-Trap-SL Print Date: 4/9/2011 8:21:21 AM

Method: PEPTIDOGIEM.m Operator: Laboratorio de Masas Acq. Date: 4/9/2011 8:05:01 AM
Sample Name: PEPTIDO
Analysis Info:

Acquisition Parameter:
Mass Range Std/Normal Trap Drive 78.0 Scan Begin 500 m/z Auto MS/MS off
Mode Octopole RF 200.0 Vpp Scan End 2200 m/z
Ion Polarity Positive Amplitude Averages 7 Spectra
Ion Source ESI Capillary Exit 200.0 Volt Max. Accu Time 50000 µs
Type Skimmer 40.0 Volt ICC Target 30000
Dry Temp 300 °C Oct 1 DC 12.00 Volt Charge Control on
(Set) Oct 2 DC 2.50 Volt
Nebulizer (Set) 15.00 psi
Dry Gas (Set) 5.00 l/min

Compound List:

# RT [min] Range [min] MS(n) Isol. m/z

1 0.1 0.0 - 0.1
2 0.2 0.1 - 0.2
3 0.3 0.2 - 0.3
4 0.4 0.4 - 0.4
5 0.5 0.5 - 0.5
6 0.6 0.6 - 0.7
7 0.8 0.7 - 0.8
8 0.9 0.8 - 0.9
9 1.0 1.0 - 1.0
10 1.1 1.1 - 1.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
# RT [min] Range [min] MS(n) Isol. m/z
11 1.2 1.2 - 1.3
12 1.4 1.3 - 1.4
13 1.4 1.4 - 1.4
14 1.5 1.4 - 1.5
15 1.5 1.5 - 1.7
16 1.8 1.7 - 1.8
17 1.8 1.7 - 2.0

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 1, 0.1 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 31002560 100.00

B 1087.5 1088.1 [M + H]+ 4802157 15.49

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.5

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0830963

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.4 545.3
545.7 2+ 1090.5 545.8
546.2 2+ 1091.3 546.3
1087.6 1+ 1087.6 1087.5
1088.4 1+ 1088.4 1088.5
1089.4 1+ 1089.4 1089.5

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0814268

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 31002560 100.00

B 1087.5 1088.1 [M + H]+ 4802157 15.49

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.5

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0830963

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.4 545.3
545.7 2+ 1090.5 545.8
546.2 2+ 1091.3 546.3
1087.6 1+ 1087.6 1087.5
1088.4 1+ 1088.4 1088.5
1089.4 1+ 1089.4 1089.5

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0814268

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 31002560 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.5

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0830963

Average Mass ([M + H]+): 1066.2

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

B 1087.5 1088.1 [M + H]+ 4802157 15.49

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.4 545.3
545.7 2+ 1090.5 545.8
546.2 2+ 1091.3 546.3
1087.6 1+ 1087.6 1087.5
1088.4 1+ 1088.4 1088.5
1089.4 1+ 1089.4 1089.5

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0814268

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 2, 0.2 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 33050974 100.00

B 1087.5 1088.2 [M + H]+ 4191060 12.68

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0648831

Average Mass ([M + H]+): 1066.1

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.7 2+ 1090.5 545.8
546.4 2+ 1091.8 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.108919

Average Mass ([M + H]+): 1088.2

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 33050974 100.00

B 1087.5 1088.2 [M + H]+ 4191060 12.68

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0648831

Average Mass ([M + H]+): 1066.1

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.7 2+ 1090.5 545.8
546.4 2+ 1091.8 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.108919

Average Mass ([M + H]+): 1088.2

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 33050974 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0648831

Average Mass ([M + H]+): 1066.1

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
B 1087.5 1088.2 [M + H]+ 4191060 12.68

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.7 2+ 1090.5 545.8
546.4 2+ 1091.8 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.108919

Average Mass ([M + H]+): 1088.2

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 3, 0.3 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 31590314 100.00

B 1087.5 1088.1 [M + H]+ 4719006 14.94

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5
1070.4 1+ 1070.4 1070.5

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0970573

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.8 2+ 1090.5 545.8
546.4 2+ 1091.8 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.12374

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 31590314 100.00

B 1087.5 1088.1 [M + H]+ 4719006 14.94

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5
1070.4 1+ 1070.4 1070.5

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0970573

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.8 2+ 1090.5 545.8
546.4 2+ 1091.8 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.12374

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 31590314 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5
1070.4 1+ 1070.4 1070.5

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0970573

Average Mass ([M + H]+): 1066.2

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
B 1087.5 1088.1 [M + H]+ 4719006 14.94

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.8 2+ 1090.5 545.8
546.4 2+ 1091.8 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.12374

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 4, 0.4 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 32747514 100.00

B 1087.5 1088.2 [M + H]+ 4739888 14.47

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.4 1+ 1067.4 1067.5
1068.5 1+ 1068.5 1068.6
1069.5 1+ 1069.5 1069.6
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0940387

Average Mass ([M + H]+): 1066.1

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.8 2+ 1090.6 545.8
546.4 2+ 1091.7 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0853157

Average Mass ([M + H]+): 1088.2

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 32747514 100.00

B 1087.5 1088.2 [M + H]+ 4739888 14.47

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.4 1+ 1067.4 1067.5
1068.5 1+ 1068.5 1068.6
1069.5 1+ 1069.5 1069.6
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0940387

Average Mass ([M + H]+): 1066.1

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.8 2+ 1090.6 545.8
546.4 2+ 1091.7 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0853157

Average Mass ([M + H]+): 1088.2

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 32747514 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.4 1+ 1067.4 1067.5
1068.5 1+ 1068.5 1068.6
1069.5 1+ 1069.5 1069.6
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0940387

Average Mass ([M + H]+): 1066.1

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
B 1087.5 1088.2 [M + H]+ 4739888 14.47

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.8 2+ 1090.6 545.8
546.4 2+ 1091.7 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0853157

Average Mass ([M + H]+): 1088.2

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 5, 0.5 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 32282464 100.00

B 1087.5 1088.1 [M + H]+ 5077847 15.73

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.6
1070.3 1+ 1070.3 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.128

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.5 545.8
546.3 2+ 1091.6 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0586532

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 32282464 100.00

B 1087.5 1088.1 [M + H]+ 5077847 15.73

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.6
1070.3 1+ 1070.3 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.128

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.5 545.8
546.3 2+ 1091.6 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0586532

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 32282464 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.6
1070.3 1+ 1070.3 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.128

Average Mass ([M + H]+): 1066.2

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
B 1087.5 1088.1 [M + H]+ 5077847 15.73

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.5 545.8
546.3 2+ 1091.6 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0586532

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 6, 0.6 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 34921208 100.00

B 1087.5 1088.1 [M + H]+ 4880761 13.98

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.6
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0866194

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.7 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.8 2+ 1090.5 545.8
546.3 2+ 1091.5 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0409144

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 34921208 100.00

B 1087.5 1088.1 [M + H]+ 4880761 13.98

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.6
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0866194

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.7 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.8 2+ 1090.5 545.8
546.3 2+ 1091.5 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0409144

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 34921208 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.6
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0866194

Average Mass ([M + H]+): 1066.2

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
B 1087.5 1088.1 [M + H]+ 4880761 13.98

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.7 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.8 2+ 1090.5 545.8
546.3 2+ 1091.5 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0409144

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 7, 0.8 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 33442896 100.00

B 1087.5 1088.2 [M + H]+ 5660228 16.93

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5
1070.4 1+ 1070.4 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0929865

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.4 545.3
545.8 2+ 1090.5 545.8
546.3 2+ 1091.7 546.3
546.7 2+ 1092.3 546.8

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.103486

Average Mass ([M + H]+): 1088.2

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 33442896 100.00

B 1087.5 1088.2 [M + H]+ 5660228 16.93

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5
1070.4 1+ 1070.4 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0929865

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.4 545.3
545.8 2+ 1090.5 545.8
546.3 2+ 1091.7 546.3
546.7 2+ 1092.3 546.8

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.103486

Average Mass ([M + H]+): 1088.2

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 33442896 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5
1070.4 1+ 1070.4 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0929865

Average Mass ([M + H]+): 1066.2

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
B 1087.5 1088.2 [M + H]+ 5660228 16.93

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.4 545.3
545.8 2+ 1090.5 545.8
546.3 2+ 1091.7 546.3
546.7 2+ 1092.3 546.8

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.103486

Average Mass ([M + H]+): 1088.2

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 8, 0.9 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 35684516 100.00

B 1087.5 1088.1 [M + H]+ 5853529 16.40

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.6
1069.4 1+ 1069.4 1069.6
1070.4 1+ 1070.4 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.114522

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.2 2+ 1091.4 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0853596

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 35684516 100.00

B 1087.5 1088.1 [M + H]+ 5853529 16.40

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.6
1069.4 1+ 1069.4 1069.6
1070.4 1+ 1070.4 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.114522

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.2 2+ 1091.4 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0853596

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 35684516 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.6
1069.4 1+ 1069.4 1069.6
1070.4 1+ 1070.4 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.114522

Average Mass ([M + H]+): 1066.2

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
B 1087.5 1088.1 [M + H]+ 5853529 16.40

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.2 2+ 1091.4 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0853596

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 9, 1.0 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 36398756 100.00

B 1087.5 1088.1 [M + H]+ 4522840 12.43

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0767244

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.7 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.2 2+ 1091.5 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0501398

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 36398756 100.00

B 1087.5 1088.1 [M + H]+ 4522840 12.43

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0767244

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.7 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.2 2+ 1091.5 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0501398

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 36398756 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0767244

Average Mass ([M + H]+): 1066.2

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

B 1087.5 1088.1 [M + H]+ 4522840 12.43

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.7 2+ 1088.5 544.8
545.2 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.2 2+ 1091.5 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0501398

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 10, 1.1 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 37826708 100.00

B 1087.5 1088.1 [M + H]+ 5391935 14.25

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.5
1070.4 1+ 1070.4 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0890731

Average Mass ([M + H]+): 1066.1

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.4 545.3
545.8 2+ 1090.7 545.8

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.092544

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 37826708 100.00

B 1087.5 1088.1 [M + H]+ 5391935 14.25

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.5
1070.4 1+ 1070.4 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0890731

Average Mass ([M + H]+): 1066.1

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.4 545.3
545.8 2+ 1090.7 545.8

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.092544

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 37826708 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.5
1070.4 1+ 1070.4 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0890731

Average Mass ([M + H]+): 1066.1

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
B 1087.5 1088.1 [M + H]+ 5391935 14.25

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.2 2+ 1089.4 545.3
545.8 2+ 1090.7 545.8

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.092544

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 11, 1.2 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 36498272 100.00

B 1087.5 1088.1 [M + H]+ 4921926 13.49

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.5
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0824679

Average Mass ([M + H]+): 1066.1

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.7 2+ 1088.5 544.8
545.2 2+ 1089.4 545.3
545.8 2+ 1090.5 545.8
546.4 2+ 1091.8 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.115487

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 36498272 100.00

B 1087.5 1088.1 [M + H]+ 4921926 13.49

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.5
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0824679

Average Mass ([M + H]+): 1066.1

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.7 2+ 1088.5 544.8
545.2 2+ 1089.4 545.3
545.8 2+ 1090.5 545.8
546.4 2+ 1091.8 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.115487

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 36498272 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.5
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0824679

Average Mass ([M + H]+): 1066.1

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
B 1087.5 1088.1 [M + H]+ 4921926 13.49

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.7 2+ 1088.5 544.8
545.2 2+ 1089.4 545.3
545.8 2+ 1090.5 545.8
546.4 2+ 1091.8 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.115487

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 12, 1.4 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 34217384 100.00

B 1087.6 1088.3 [M + H]+ 5053656 14.77

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0653141

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.6 545.3
545.8 2+ 1090.6 545.8
546.4 2+ 1091.7 546.3
546.9 2+ 1092.8 546.8

Molecular Mass ([M + H]+): 1087.6 Std. Deviation: 0.103716

Average Mass ([M + H]+): 1088.3

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 34217384 100.00

B 1087.6 1088.3 [M + H]+ 5053656 14.77

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0653141

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.6 545.3
545.8 2+ 1090.6 545.8
546.4 2+ 1091.7 546.3
546.9 2+ 1092.8 546.8

Molecular Mass ([M + H]+): 1087.6 Std. Deviation: 0.103716

Average Mass ([M + H]+): 1088.3

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 34217384 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0653141

Average Mass ([M + H]+): 1066.2

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

B 1087.6 1088.3 [M + H]+ 5053656 14.77

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.6 545.3
545.8 2+ 1090.6 545.8
546.4 2+ 1091.7 546.3
546.9 2+ 1092.8 546.8

Molecular Mass ([M + H]+): 1087.6 Std. Deviation: 0.103716

Average Mass ([M + H]+): 1088.3

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 13, 1.4 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 36591588 100.00

B 1087.5 1088.1 [M + H]+ 5225611 14.28

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.6
1069.5 1+ 1069.5 1069.6
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0636145

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.7 2+ 1088.5 544.8
545.3 2+ 1089.6 545.3
545.8 2+ 1090.6 545.8

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0662716

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 36591588 100.00

B 1087.5 1088.1 [M + H]+ 5225611 14.28

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.6
1069.5 1+ 1069.5 1069.6
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0636145

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.7 2+ 1088.5 544.8
545.3 2+ 1089.6 545.3
545.8 2+ 1090.6 545.8

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0662716

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 36591588 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.6
1069.5 1+ 1069.5 1069.6
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0636145

Average Mass ([M + H]+): 1066.2

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
B 1087.5 1088.1 [M + H]+ 5225611 14.28

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.7 2+ 1088.5 544.8
545.3 2+ 1089.6 545.3
545.8 2+ 1090.6 545.8

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0662716

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 14, 1.5 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 34011732 100.00

B 1087.5 1088.2 [M + H]+ 5299605 15.58

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.6
1069.5 1+ 1069.5 1069.6
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0724531

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.7 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.2 2+ 1091.4 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0856835

Average Mass ([M + H]+): 1088.2

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 34011732 100.00

B 1087.5 1088.2 [M + H]+ 5299605 15.58

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.6
1069.5 1+ 1069.5 1069.6
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0724531

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.7 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.2 2+ 1091.4 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0856835

Average Mass ([M + H]+): 1088.2

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 34011732 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.6
1069.5 1+ 1069.5 1069.6
1070.5 1+ 1070.5 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0724531

Average Mass ([M + H]+): 1066.2

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
B 1087.5 1088.2 [M + H]+ 5299605 15.58

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.7 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.2 2+ 1091.4 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0856835

Average Mass ([M + H]+): 1088.2

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 15, 1.5 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 35533964 100.00

B 1087.5 1088.1 [M + H]+ 6011097 16.92

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.4 1+ 1067.4 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0913092

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.3 2+ 1091.5 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0662722

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 35533964 100.00

B 1087.5 1088.1 [M + H]+ 6011097 16.92

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.4 1+ 1067.4 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0913092

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.3 2+ 1091.5 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0662722

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 35533964 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.4 1+ 1067.4 1067.5
1068.5 1+ 1068.5 1068.5
1069.4 1+ 1069.4 1069.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0913092

Average Mass ([M + H]+): 1066.2

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

B 1087.5 1088.1 [M + H]+ 6011097 16.92

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.6 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.3 2+ 1091.5 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0662722

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 16, 1.8 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 36387608 100.00

B 1087.5 1088.1 [M + H]+ 5584935 15.35

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.6
1068.5 1+ 1068.5 1068.6
1069.4 1+ 1069.4 1069.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.107907

Average Mass ([M + H]+): 1066.1

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0515157

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 36387608 100.00

B 1087.5 1088.1 [M + H]+ 5584935 15.35

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.6
1068.5 1+ 1068.5 1068.6
1069.4 1+ 1069.4 1069.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.107907

Average Mass ([M + H]+): 1066.1

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0515157

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.1 [M + H]+ 36387608 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.6
1068.5 1+ 1068.5 1068.6
1069.4 1+ 1069.4 1069.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.107907

Average Mass ([M + H]+): 1066.1

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

B 1087.5 1088.1 [M + H]+ 5584935 15.35

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.0515157

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
Cmpd 17, 1.8 min

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 36152548 100.00

B 1087.5 1088.1 [M + H]+ 5818266 16.09

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5
1070.4 1+ 1070.4 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0985018

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.2 2+ 1091.4 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.092535

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 36152548 100.00

B 1087.5 1088.1 [M + H]+ 5818266 16.09

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5
1070.4 1+ 1070.4 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0985018

Average Mass ([M + H]+): 1066.2

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.2 2+ 1091.4 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.092535

Average Mass ([M + H]+): 1088.1

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

A 1065.5 1066.2 [M + H]+ 36152548 100.00

Component A Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

1065.6 1+ 1065.6 1065.5

1066.4 1+ 1066.4 1066.5
1067.5 1+ 1067.5 1067.5
1068.5 1+ 1068.5 1068.5
1069.5 1+ 1069.5 1069.5
1070.4 1+ 1070.4 1070.6

Molecular Mass ([M + H]+): 1065.5 Std. Deviation: 0.0985018

Average Mass ([M + H]+): 1066.2

Component Molecular Molecule Absolute Relative

Mass Abundance Abundance

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 Compound Mass Spectrum Deconvolution Report - AutoMS(n)
B 1087.5 1088.1 [M + H]+ 5818266 16.09

Component B Detail
Actual Charge Isotopic Predicted
Peak Mass([M + H]+) Peak

544.3 2+ 1087.5 544.3

544.8 2+ 1088.5 544.8
545.3 2+ 1089.5 545.3
545.7 2+ 1090.4 545.8
546.2 2+ 1091.4 546.3

Molecular Mass ([M + H]+): 1087.5 Std. Deviation: 0.092535

Average Mass ([M + H]+): 1088.1

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