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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
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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 Transition List
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Molecule List
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Amino Acids
Molecule
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Mass Monoisotopic
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Precursor
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Q1 m/z
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Ala
224.0327
224.0327
Ala
224.0327
225.0400
1+
[M+]
44.0200
1+
Ala
224.0327
224.0327
Ala
224.0327
229.0400
1+
[M+]
48.0200
1+
Arg
309.0927
309.0927
Arg
309.0927
310.1000
1+
[M+]
217.0500
1+
Arg
309.0927
309.0927
Arg
309.0927
312.1000
1+
[M+]
219.0500
1+
Asn
267.0327
267.0327
Asn
267.0327
268.0400
1+
[M+]
87.0600
1+
Asn
267.0327
267.0327
Asn
267.0327
270.0400
1+
[M+]
89.0600
1+
Asp
268.0327
268.0327
Asp
268.0327
269.0400
1+
[M+]
115.9600
1+
Asp
268.0327
268.0327
Asp
268.0327
272.0400
1+
[M+]
118.9600
1+
Cit
310.0927
310.0927
Cit
310.0927
311.1000
1+
[M+]
113.0300
1+
Cit
310.0927
310.0927
Cit
310.0927
316.0000
1+
[M+]
118.0300
1+
Gln
281.1227
281.1227
Gln
281.1227
282.1300
1+
[M+]
129.8400
1+
Gln
281.1227
281.1227
Gln
281.1227
287.1300
1+
[M+]
134.8400
1+
Glu
282.0327
282.0327
Glu
282.0327
283.0400
1+
[M+]
129.9600
1+
Glu
282.0327
282.0327
Glu
282.0327
286.0400
1+
[M+]
133.0000
1+
Gly
210.0227
210.0227
Gly
210.0227
211.0300
1+
[M+]
75.9300
1+
Gly
210.0227
210.0227
Gly
210.0227
214.0300
1+
[M+]
78.9300
1+
His
290.0627
290.0627
His
290.0627
291.0700
1+
[M+]
110.0500
1+
His
290.0627
290.0627
His
290.0627
297.0700
1+
[M+]
115.1000
1+
Ile
266.2927
266.2927
Ile
266.2927
267.3000
1+
[M+]
68.9600
1+
Ile
266.2927
266.2927
Ile
266.2927
273.1000
1+
[M+]
91.1000
1+
Leu
266.0627
266.0627
Leu
266.0627
267.0700
1+
[M+]
43.3000
1+
Lys
416.0927
416.0927
Lys
416.0927
417.1000
1+
[M+]
324.1200
1+
Met
284.0627
284.0627
Met
284.0627
285.0700
1+
[M+]
103.9900
1+
Met
284.0627
284.0627
Met
284.0627
288.0700
1+
[M+]
106.9900
1+
Orn
402.0927
402.0927
Orn
402.0927
403.1000
1+
[M+]
310.0500
1+
Orn
402.0927
402.0927
Orn
402.0927
409.1000
1+
[M+]
316.0500
1+
Phe
300.0627
300.0627
Phe
300.0627
301.0700
1+
[M+]
120.0700
1+
Phe
300.0627
300.0627
Phe
300.0627
306.0700
1+
[M+]
125.0700
1+
Pro
250.0327
250.0327
Pro
250.0327
251.0400
1+
[M+]
70.0000
1+
Pro
250.0327
250.0327
Pro
250.0327
258.0400
1+
[M+]
77.0000
1+
Ser
240.0627
240.0627
Ser
240.0627
241.0700
1+
[M+]
60.0400
1+
Ser
240.0627
240.0627
Ser
240.0627
244.0700
1+
[M+]
62.9800
1+
Thr
254.0327
254.0327
Thr
254.0327
255.0400
1+
[M+]
73.9700
1+
Thr
254.0327
254.0327
Thr
254.0327
259.0400
1+
[M+]
76.9700
1+
Trp
339.0627
339.0627
Trp
339.0627
340.0700
1+
[M+]
188.0800
1+
Trp
339.0627
339.0627
Trp
339.0627
342.0400
1+
[M+]
189.0400
1+
Tyr
316.0927
316.0927
Tyr
316.0927
317.1000
1+
[M+]
136.0100
1+
Tyr
316.0927
316.0927
Tyr
316.0927
321.1000
1+
[M+]
140.0100
1+
Val
252.0327
252.0327
Val
252.0327
253.0400
1+
[M+]
72.0200
1+
Val
252.0327
252.0327
Val
252.0327
261.0400
1+
[M+]
80.0200
1+
Biogenic Amines
Molecule
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Ac-Orn
309.0927
309.0927
Ac-Orn
309.0927
310.1000
1+
[M+]
217.0500
1+
ADMA
337.1727
337.1727
ADMA
337.1727
338.1800
1+
[M+]
46.0400
1+
ADMA
337.1727
337.1727
ADMA
337.1727
345.1700
1+
[M+]
76.9000
1+
SDMA
337.1627
337.1627
SDMA
337.1627
338.1700
1+
[M+]
70.0600
1+
alpha-AAA
296.0527
296.0527
alpha-AAA
296.0527
297.0600
1+
[M+]
144.0100
1+
Carnosine
361.0927
361.0927
Carnosine
361.0927
362.1000
1+
[M+]
110.0400
1+
Creatinine
112.9927
112.9927
Creatinine
112.9927
114.0000
1+
[M+]
44.0200
1+
Creatinine
112.9927
112.9927
Creatinine
112.9927
117.0000
1+
[M+]
47.0200
1+
DOPA
332.0627
332.0627
DOPA
332.0627
333.0700
1+
[M+]
198.0800
1+
DOPA
332.0627
332.0627
DOPA
332.0627
336.0700
1+
[M+]
201.0800
1+
Dopamine
288.0327
288.0327
Dopamine
288.0327
289.0400
1+
[M+]
137.0000
1+
Dopamine
288.0327
288.0327
Dopamine
288.0327
293.0000
1+
[M+]
141.0000
1+
Histamine
246.0127
246.0127
Histamine
246.0127
247.0200
1+
[M+]
153.9800
1+
Kynurenine
343.0927
343.0927
Kynurenine
343.0927
344.1000
1+
[M+]
145.9800
1+
Met-SO
300.0327
300.0327
Met-SO
300.0327
301.0400
1+
[M+]
87.9700
1+
Nitro-Tyr
361.0327
361.0327
Nitro-Tyr
361.0327
362.0400
1+
[M+]
135.9500
1+
c4-OH-Pro
266.0227
266.0227
c4-OH-Pro
266.0227
267.0300
1+
[M+]
67.9800
1+
t4-OH-Pro
265.9927
265.9927
t4-OH-Pro
265.9927
267.0000
1+
[M+]
132.0000
1+
PEA
256.0327
256.0327
PEA
256.0327
257.0400
1+
[M+]
105.0300
1+
Putrescine
358.0927
358.0927
Putrescine
358.0927
359.1000
1+
[M+]
266.0900
1+
Putrescine
358.0927
358.0927
Putrescine
358.0927
363.1000
1+
[M+]
270.0900
1+
Sarcosine
223.9927
223.9927
Sarcosine
223.9927
225.0000
1+
[M+]
90.0000
1+
Sarcosine
223.9927
223.9927
Sarcosine
223.9927
228.1000
1+
[M+]
93.0000
1+
Serotonin
311.0727
311.0727
Serotonin
311.0727
312.0800
1+
[M+]
160.0200
1+
Serotonin
311.0727
311.0727
Serotonin
311.0727
316.0800
1+
[M+]
164.0200
1+
Spermidine
550.1627
550.1627
Spermidine
550.1627
551.1700
1+
[M+]
193.0700
1+
Spermidine
550.1627
550.1627
Spermidine
550.1627
559.1700
1+
[M+]
193.0700
1+
Spermine
742.1927
742.1927
Spermine
742.1927
743.2000
1+
[M+]
193.1200
1+
Spermine
742.1927
742.1927
Spermine
742.1927
751.2000
1+
[M+]
193.1200
1+
Taurine
260.0027
260.0027
Taurine
260.0027
261.0100
1+
[M+]
126.0200
1+
Taurine
260.0027
260.0027
Taurine
260.0027
263.0100
1+
[M+]
128.0000
1+