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Biocrates_p180Quantification_UPLC_KJA_Manual_v3_1_x_052819_2019-08-22_11-30-44.sky.zip
Duke Proteomics Core - Skyline for Small Molecules
Document Summary
Biocrates_p180Quantification_UPLC_KJA_Manual_v3_1_x_052819_2019-08-22_11-30-44.sky.zip
8 MB
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1 version
2 molecule lists
,
42 small molecules
,
71 precursors
,
71 transitions
-
98 replicates
,
42 calibration curves
- Skyline-daily (64-bit) 19.0.9.190
Small Molecule Precursor List
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Molecule List
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Amino Acids
Molecule
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Q1 Z
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Q1 m/z
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Transition Count
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Ala
224.0327
224.0327
Ala
1+
225.0400
224.0327
224.0327
1
Ala
224.0327
224.0327
Ala
1+
229.0400
224.0327
224.0327
1
Arg
309.0927
309.0927
Arg
1+
310.1000
309.0927
309.0927
1
Arg
309.0927
309.0927
Arg
1+
312.1000
309.0927
309.0927
1
Asn
267.0327
267.0327
Asn
1+
268.0400
267.0327
267.0327
1
Asn
267.0327
267.0327
Asn
1+
270.0400
267.0327
267.0327
1
Asp
268.0327
268.0327
Asp
1+
269.0400
268.0327
268.0327
1
Asp
268.0327
268.0327
Asp
1+
272.0400
268.0327
268.0327
1
Cit
310.0927
310.0927
Cit
1+
311.1000
310.0927
310.0927
1
Cit
310.0927
310.0927
Cit
1+
316.0000
310.0927
310.0927
1
Gln
281.1227
281.1227
Gln
1+
282.1300
281.1227
281.1227
1
Gln
281.1227
281.1227
Gln
1+
287.1300
281.1227
281.1227
1
Glu
282.0327
282.0327
Glu
1+
283.0400
282.0327
282.0327
1
Glu
282.0327
282.0327
Glu
1+
286.0400
282.0327
282.0327
1
Gly
210.0227
210.0227
Gly
1+
211.0300
210.0227
210.0227
1
Gly
210.0227
210.0227
Gly
1+
214.0300
210.0227
210.0227
1
His
290.0627
290.0627
His
1+
291.0700
290.0627
290.0627
1
His
290.0627
290.0627
His
1+
297.0700
290.0627
290.0627
1
Ile
266.2927
266.2927
Ile
1+
267.3000
266.2927
266.2927
1
Ile
266.2927
266.2927
Ile
1+
273.1000
266.2927
266.2927
1
Leu
266.0627
266.0627
Leu
1+
267.0700
266.0627
266.0627
1
Lys
416.0927
416.0927
Lys
1+
417.1000
416.0927
416.0927
1
Met
284.0627
284.0627
Met
1+
285.0700
284.0627
284.0627
1
Met
284.0627
284.0627
Met
1+
288.0700
284.0627
284.0627
1
Orn
402.0927
402.0927
Orn
1+
403.1000
402.0927
402.0927
1
Orn
402.0927
402.0927
Orn
1+
409.1000
402.0927
402.0927
1
Phe
300.0627
300.0627
Phe
1+
301.0700
300.0627
300.0627
1
Phe
300.0627
300.0627
Phe
1+
306.0700
300.0627
300.0627
1
Pro
250.0327
250.0327
Pro
1+
251.0400
250.0327
250.0327
1
Pro
250.0327
250.0327
Pro
1+
258.0400
250.0327
250.0327
1
Ser
240.0627
240.0627
Ser
1+
241.0700
240.0627
240.0627
1
Ser
240.0627
240.0627
Ser
1+
244.0700
240.0627
240.0627
1
Thr
254.0327
254.0327
Thr
1+
255.0400
254.0327
254.0327
1
Thr
254.0327
254.0327
Thr
1+
259.0400
254.0327
254.0327
1
Trp
339.0627
339.0627
Trp
1+
340.0700
339.0627
339.0627
1
Trp
339.0627
339.0627
Trp
1+
342.0400
339.0627
339.0627
1
Tyr
316.0927
316.0927
Tyr
1+
317.1000
316.0927
316.0927
1
Tyr
316.0927
316.0927
Tyr
1+
321.1000
316.0927
316.0927
1
Val
252.0327
252.0327
Val
1+
253.0400
252.0327
252.0327
1
Val
252.0327
252.0327
Val
1+
261.0400
252.0327
252.0327
1
Biogenic Amines
Molecule
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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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Transition Count
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Ac-Orn
309.0927
309.0927
Ac-Orn
1+
310.1000
309.0927
309.0927
1
ADMA
337.1727
337.1727
ADMA
1+
338.1800
337.1727
337.1727
1
ADMA
337.1727
337.1727
ADMA
1+
345.1700
337.1727
337.1727
1
SDMA
337.1627
337.1627
SDMA
1+
338.1700
337.1627
337.1627
1
alpha-AAA
296.0527
296.0527
alpha-AAA
1+
297.0600
296.0527
296.0527
1
Carnosine
361.0927
361.0927
Carnosine
1+
362.1000
361.0927
361.0927
1
Creatinine
112.9927
112.9927
Creatinine
1+
114.0000
112.9927
112.9927
1
Creatinine
112.9927
112.9927
Creatinine
1+
117.0000
112.9927
112.9927
1
DOPA
332.0627
332.0627
DOPA
1+
333.0700
332.0627
332.0627
1
DOPA
332.0627
332.0627
DOPA
1+
336.0700
332.0627
332.0627
1
Dopamine
288.0327
288.0327
Dopamine
1+
289.0400
288.0327
288.0327
1
Dopamine
288.0327
288.0327
Dopamine
1+
293.0000
288.0327
288.0327
1
Histamine
246.0127
246.0127
Histamine
1+
247.0200
246.0127
246.0127
1
Kynurenine
343.0927
343.0927
Kynurenine
1+
344.1000
343.0927
343.0927
1
Met-SO
300.0327
300.0327
Met-SO
1+
301.0400
300.0327
300.0327
1
Nitro-Tyr
361.0327
361.0327
Nitro-Tyr
1+
362.0400
361.0327
361.0327
1
c4-OH-Pro
266.0227
266.0227
c4-OH-Pro
1+
267.0300
266.0227
266.0227
1
t4-OH-Pro
265.9927
265.9927
t4-OH-Pro
1+
267.0000
265.9927
265.9927
1
PEA
256.0327
256.0327
PEA
1+
257.0400
256.0327
256.0327
1
Putrescine
358.0927
358.0927
Putrescine
1+
359.1000
358.0927
358.0927
1
Putrescine
358.0927
358.0927
Putrescine
1+
363.1000
358.0927
358.0927
1
Sarcosine
223.9927
223.9927
Sarcosine
1+
225.0000
223.9927
223.9927
1
Sarcosine
223.9927
223.9927
Sarcosine
1+
228.1000
223.9927
223.9927
1
Serotonin
311.0727
311.0727
Serotonin
1+
312.0800
311.0727
311.0727
1
Serotonin
311.0727
311.0727
Serotonin
1+
316.0800
311.0727
311.0727
1
Spermidine
550.1627
550.1627
Spermidine
1+
551.1700
550.1627
550.1627
1
Spermidine
550.1627
550.1627
Spermidine
1+
559.1700
550.1627
550.1627
1
Spermine
742.1927
742.1927
Spermine
1+
743.2000
742.1927
742.1927
1
Spermine
742.1927
742.1927
Spermine
1+
751.2000
742.1927
742.1927
1
Taurine
260.0027
260.0027
Taurine
1+
261.0100
260.0027
260.0027
1
Taurine
260.0027
260.0027
Taurine
1+
263.0100
260.0027
260.0027
1