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Targeted MS Runs
2018-01-18-Iso1-MouseUrine_scan - FINAL_2019-08-22_11-28-52.sky.zip
Skyline for Small Molecules, A Unifying Software Package for Quantitative Metabolomics
Document Summary
2018-01-18-Iso1-MouseUrine_scan - FINAL_2019-08-22_11-28-52.sky.zip
2 MB
SkyP file (link only, 1KB)
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1 version
11 molecule lists
,
60 small molecules
,
68 precursors
,
112 transitions
-
6 replicates
- Skyline-daily (64-bit) 19.0.9.190
Small Molecule Precursor List
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Molecule List
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Q1 Z
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AICAR
337.9927
337.9927
AICAR
1+
339.0000
337.9927
337.9927
2
3Ureidopropionate
132.0073
132.0073
3Ureidopropionate
1-
131.0000
132.0073
132.0073
1
3Ureidopropionate
132.0073
132.0073
3Ureidopropionate
1+
133.0146
132.0073
132.0073
1
Orotic acid
156.0073
156.0073
Orotic acid
1-
155.0000
156.0073
156.0073
2
2-Nucleobase
Molecule
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Q1 Z
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Adenine
134.9927
134.9927
Adenine
1+
136.0000
134.9927
134.9927
2
Hypoxanthine
135.9927
135.9927
Hypoxanthine
1+
137.0000
135.9927
135.9927
2
Xanthine
152.0073
152.0073
Xanthine
1-
151.0000
152.0073
152.0073
2
Guanine
150.9927
150.9927
Guanine
1+
152.0000
150.9927
150.9927
1
Allantoin
158.1073
158.1073
Allantoin
1-
157.1000
158.1073
158.1073
1
Uric acid
168.0073
168.0073
Uric acid
1-
167.0000
168.0073
168.0073
2
Uracil
112.0073
112.0073
Uracil
1-
111.0000
112.0073
112.0073
2
Cytosine
110.9927
110.9927
Cytosine
1+
112.0000
110.9927
110.9927
2
Dihydrouracil
not detected
114.0073
114.0073
Dihydrouracil
1-
113.0000
114.0073
114.0073
1
Thymine
125.9927
125.9927
Thymine
1+
127.0000
125.9927
125.9927
1
3-Nucleoside
Molecule
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Q1 Z
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Adenosine
266.9927
266.9927
Adenosine
1+
268.0000
266.9927
266.9927
2
Inosine
267.9927
267.9927
Inosine
1+
269.0000
267.9927
267.9927
1
Xanthosine
284.0073
284.0073
Xanthosine
1-
283.0000
284.0073
284.0073
2
Guanosine
282.9927
282.9927
Guanosine
1+
284.0000
282.9927
282.9927
2
Uridine
244.0073
244.0073
Uridine
1-
243.0000
244.0073
244.0073
1
Cytidine
242.9927
242.9927
Cytidine
1+
244.0000
242.9927
242.9927
2
3-Nucleoside-deoxy
Molecule
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Q1 Z
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2-deoxy-Adenosine
251.0927
251.0927
2-deoxy-Adenosine
1+
252.1000
251.0927
251.0927
1
deoxy-Inosine
251.9927
251.9927
deoxy-Inosine
1+
253.0000
251.9927
251.9927
2
deoxy-Guanosine
266.9927
266.9927
deoxy-Guanosine
1+
268.0000
266.9927
266.9927
2
deoxy-Uridine
228.0073
228.0073
deoxy-Uridine
1-
227.0000
228.0073
228.0073
2
deoxy-Cytidine
226.9927
226.9927
deoxy-Cytidine
1+
228.0000
226.9927
226.9927
2
deoxy-Thymidine
242.0073
242.0073
deoxy-Thymidine
1-
241.0000
242.0073
242.0073
1
4-Mononucleotide
Molecule
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Q1 Z
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23cyclic-AMP
329.0073
329.0073
23cyclic-AMP
1-
328.0000
329.0073
329.0073
2
cyclic-GMP
345.0073
345.0073
cyclic-GMP
1-
344.0000
345.0073
345.0073
2
cyclic-GMP
345.0073
345.0073
cyclic-GMP
1+
346.0146
345.0073
345.0073
2
AMP
347.1073
347.1073
AMP
1-
346.1000
347.1073
347.1073
1
AMP
347.1073
347.1073
AMP
1+
348.1146
347.1073
347.1073
1
IMP
standard fine but noisy signal in urine
348.0073
348.0073
IMP
1-
347.0000
348.0073
348.0073
1
IMP
standard fine but noisy signal in urine
348.0073
348.0073
IMP
1+
349.0146
348.0073
348.0073
1
GMP
363.0073
363.0073
GMP
1-
362.0000
363.0073
363.0073
1
GMP
363.0073
363.0073
GMP
1+
364.0146
363.0073
363.0073
1
XMP
standard fine but noisy signal in urine
364.0073
364.0073
XMP
1-
363.0000
364.0073
364.0073
1
XMP
standard fine but noisy signal in urine
364.0073
364.0073
XMP
1+
365.0146
364.0073
364.0073
1
cyclic-CMP
305.0073
305.0073
cyclic-CMP
1-
304.0000
305.0073
305.0073
2
deoxy-UMP
308.0073
308.0073
deoxy-UMP
1-
307.0000
308.0073
308.0073
1
3CMP
standard fine but noisy signal in urine
322.9927
322.9927
3CMP
1+
324.0000
322.9927
322.9927
2
UMP
323.9927
323.9927
UMP
1+
325.0000
323.9927
323.9927
1
4-Mononucleotide-deoxy
Molecule
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deoxy-IMP
standard fine but noisy signal in urine
332.0073
332.0073
deoxy-IMP
1-
331.0000
332.0073
332.0073
2
deoxy-IMP
standard fine but noisy signal in urine
332.0073
332.0073
deoxy-IMP
1+
333.0146
332.0073
332.0073
2
deoxy-AMP
standard fine but noisy signal in urine
330.9927
330.9927
deoxy-AMP
1+
332.0000
330.9927
330.9927
2
deoxy-GMP
standard fine but noisy signal in urine
346.9927
346.9927
deoxy-GMP
1+
348.0000
346.9927
346.9927
2
deoxy-UMP
308.0073
308.0073
deoxy-UMP
1-
307.0000
308.0073
308.0073
1
deoxy-CMP
standard fine but noisy signal in urine
306.9927
306.9927
deoxy-CMP
1+
308.0000
306.9927
306.9927
1
deoxy-TMP
standard fine but noisy signal in urine
322.0073
322.0073
deoxy-TMP
1-
321.0000
322.0073
322.0073
1
deoxy-TMP
standard fine but noisy signal in urine
322.0073
322.0073
deoxy-TMP
1+
323.0146
322.0073
322.0073
1
5-Dinucleotide
Molecule
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ADP
standard fine but noisy signal in urine
427.1073
427.1073
ADP
1-
426.1000
427.1073
427.1073
2
IDP
standard fine but noisy signal in urine
428.0073
428.0073
IDP
1-
427.0000
428.0073
428.0073
2
GDP
noisy signal overall
443.0073
443.0073
GDP
1-
442.0000
443.0073
443.0073
2
CDP
standard fine but noisy signal in urine
403.0073
403.0073
CDP
1-
402.0000
403.0073
403.0073
2
UDP
standard fine but noisy signal in urine
404.0073
404.0073
UDP
1-
403.0000
404.0073
404.0073
2
5-Dinucleotide-deoxy
Molecule
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deoxy-ADP
standard fine but noisy signal in urine
411.0073
411.0073
deoxy-ADP
1-
410.0000
411.0073
411.0073
1
deoxy-GDP
standard fine but noisy signal in urine
427.0073
427.0073
deoxy-GDP
1-
426.0000
427.0073
427.0073
2
deoxy-CDP
standard fine but noisy signal in urine
387.0073
387.0073
deoxy-CDP
1-
386.0000
387.0073
387.0073
2
deoxy-TDP
standard fine but noisy signal in urine
402.0073
402.0073
deoxy-TDP
1-
401.0000
402.0073
402.0073
2
6-Trinucleotide
Molecule
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ATP
507.0073
507.0073
ATP
1-
506.0000
507.0073
507.0073
2
GTP
523.1073
523.1073
GTP
1-
522.1000
523.1073
523.1073
2
CTP
noisy overall
483.0073
483.0073
CTP
1-
482.0000
483.0073
483.0073
3
UTP
484.0073
484.0073
UTP
1-
483.0000
484.0073
484.0073
2
6-Trinucleotide--deoxy
Molecule
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Ion Formula
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Mass Average
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Mass Monoisotopic
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Precursor
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Precursor Note/Annotations
Q1 Z
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Q1 m/z
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Mass Average
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Mass Monoisotopic
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Transition Count
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deoxy-ATP
491.0073
491.0073
deoxy-ATP
1-
490.0000
491.0073
491.0073
2
deoxy-GTP
507.0073
507.0073
deoxy-GTP
1-
506.0000
507.0073
507.0073
1
deoxy-CTP
467.0073
467.0073
deoxy-CTP
1-
466.0000
467.0073
467.0073
2
deoxy-UTP
468.0073
468.0073
deoxy-UTP
1-
467.0000
468.0073
468.0073
3
deoxy-TTP
482.0073
482.0073
deoxy-TTP
1-
481.0000
482.0073
482.0073
2