diff test-data/sample_data_2.mgf @ 4:7a5ff5359b13 draft

"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/metanovo commit c220dc85d59698a73b0f173d46e269e27264d6d8"
author galaxyp
date Fri, 22 Apr 2022 13:31:08 +0000
parents
children
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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/sample_data_2.mgf	Fri Apr 22 13:31:08 2022 +0000
@@ -0,0 +1,9936 @@
+# 
+# MS.PreferredSpectrumFormat = 0
+# MS.UncentroidingHalfWidth = 0.2
+# MS.UncentroidingPointsPerDa = 20
+# MS.AlwaysUncentroid = 1
+# MS.RegriddingPointsPerDa = 40
+# MS.AggregationMethod = 1
+# MS.MinPeakCount = 1
+# MS.MinPeakCharge = 1
+# MS.MaxPeakCharge = 4
+# MSMS.PreferredSpectrumFormat = 0
+# MSMS.UncentroidingHalfWidth = 0.2
+# MSMS.UncentroidingPointsPerDa = 20
+# MSMS.AlwaysUncentroid = 1
+# MSMS.RegriddingPointsPerDa = 40
+# MSMS.AggregationMethod = 2
+# MSMS.MinPeakCount = 10
+# MSMS.MinPeakCharge = 1
+# MSMS.MaxPeakCharge = 2
+# MSMS.UsePrecursorAsMaxCharge = 0
+# MSMS.PrecursorChargeSources = 1; 0
+# MSMS.PrecursorDefaultCharges = 2; 3; 4; 5
+# MSMS.RedeterminePrecursorMZ = 1
+# MSMS.PrecursorMZTolerance = 3
+# MSMS.IgnoreSingleChargedPrecursor = 0
+# TimeDomain.MinPrecursorMass = 700
+# TimeDomain.MaxPrecursorMass = 16000
+# TimeDomain.PrecursorGroupingTolerance = 0.3
+# TimeDomain.MaxIntermediateTime = 30
+# TimeDomain.MaxIntermediateScans = 1
+# TimeDomain.UseIntermediateScanCount = 1
+# TimeDomain.MinScansInGroup = 1
+# TimeDomain.CollapseMSn = 0
+# PeakSelection.FilteringThreshold = 0.7
+# PeakSelection.MinFilteringPeakMZ = 50
+# PeakSelection.MaxFilteringPeakMZ = 100000
+# PeakSelection.FilteringMinSNRatio = 2
+# PeakSelection.MinPeakWidth = 0.01
+# PeakSelection.ExpectedPeakWidth = 0.1
+# PeakSelection.MaxPeakWidth = 1
+# PeakSelection.MaxIterations = 500
+# PeakSelection.RejectWidthOutliers = 0
+# PeakSelection.BaselineCorrection = 0
+# PeakSelection.BaselineSubtractMethod = 0
+# PeakSelection.PeakFitMethod = 0
+# PeakSelection.IsotopeEnvelopeMode = 0
+# PeakSelection.IsotopePeakIntensities = 
+# PeakSelection.SinglePeakCharge = 1
+# PeakSelection.SinglePeakWindow = 0
+# PeakSelection.MinSglPeakWindowMZ = 112.5
+# PeakSelection.MaxSglPeakWindowMZ = 121.5
+# 
+BEGIN IONS
+TITLE=1: Scan 68 (rt=10.7767, f=2, i=2) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=505.57237 2535
+CHARGE=4+
+SCANS=68
+RTINSECONDS=646.6
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+1356.3329	0.018077837
+END IONS
+
+BEGIN IONS
+TITLE=2: Scan 550 (rt=15.8785, f=2, i=3) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=435.08133 16344
+CHARGE=2+,3+,4+,5+
+SCANS=550
+RTINSECONDS=952.71297
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+778.96144	0.1417028
+END IONS
+
+BEGIN IONS
+TITLE=3: Scan 551 (rt=15.8991, f=3, i=1) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=1143.4063 3420
+CHARGE=2+
+SCANS=551
+RTINSECONDS=953.94402
+104.10955	0.060748915
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+END IONS
+
+BEGIN IONS
+TITLE=4: Scan 553 (rt=15.9611, f=2, i=4) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=488.62481 60681
+CHARGE=3+
+SCANS=553
+RTINSECONDS=957.66397
+102.0495	0.65746601
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+END IONS
+
+BEGIN IONS
+TITLE=5: Scan 554 (rt=15.9816, f=3, i=2) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=418.96875 27785
+CHARGE=2+,3+,4+,5+
+SCANS=554
+RTINSECONDS=958.89599
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+END IONS
+
+BEGIN IONS
+TITLE=6: Scan 555 (rt=16.0021, f=4, i=1) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=586.10396 15019
+CHARGE=4+
+SCANS=555
+RTINSECONDS=960.12703
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+END IONS
+
+BEGIN IONS
+TITLE=7: Scan 557 (rt=16.0641, f=2, i=5) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=633.80352 13878
+CHARGE=2+
+SCANS=557
+RTINSECONDS=963.84899
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+END IONS
+
+BEGIN IONS
+TITLE=8: Scan 558 (rt=16.0847, f=3, i=3) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=581.29145 14062
+CHARGE=2+
+SCANS=558
+RTINSECONDS=965.08003
+101.0753	0.054147941
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+END IONS
+
+BEGIN IONS
+TITLE=9: Scan 559 (rt=16.1052, f=4, i=2) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=450.7202 20905
+CHARGE=2+
+SCANS=559
+RTINSECONDS=966.31096
+101.08158	0.15638033
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+END IONS
+
+BEGIN IONS
+TITLE=10: Scan 561 (rt=16.1672, f=2, i=6) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=470.75667 26458
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+SCANS=561
+RTINSECONDS=970.03304
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+END IONS
+
+BEGIN IONS
+TITLE=11: Scan 562 (rt=16.1877, f=3, i=4) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=409.23917 25284
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+SCANS=562
+RTINSECONDS=971.26396
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+END IONS
+
+BEGIN IONS
+TITLE=12: Scan 563 (rt=16.2083, f=4, i=3) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=487.24625 28559
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+END IONS
+
+BEGIN IONS
+TITLE=13: Scan 566 (rt=16.2831, f=2, i=7) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=403.1999 104539
+CHARGE=2+
+SCANS=566
+RTINSECONDS=976.98704
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+
+BEGIN IONS
+TITLE=14: Scan 567 (rt=16.3036, f=3, i=5) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=15: Scan 568 (rt=16.3242, f=4, i=4) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=16: Scan 570 (rt=16.3861, f=2, i=8) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=488.24659 31305
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+END IONS
+
+BEGIN IONS
+TITLE=17: Scan 571 (rt=16.4067, f=3, i=6) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=527.29562 24414
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+SCANS=571
+RTINSECONDS=984.39995
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+END IONS
+
+BEGIN IONS
+TITLE=18: Scan 572 (rt=16.4272, f=4, i=5) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=432.22403 38620
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+END IONS
+
+BEGIN IONS
+TITLE=19: Scan 574 (rt=16.4893, f=2, i=9) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=481.88991 32231
+CHARGE=3+
+SCANS=574
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+END IONS
+
+BEGIN IONS
+TITLE=20: Scan 575 (rt=16.5098, f=3, i=7) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=406.70773 67118
+CHARGE=2+
+SCANS=575
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+END IONS
+
+BEGIN IONS
+TITLE=21: Sum of 2 scans in range 576 (rt=16.5303, f=4, i=6) to 579 (rt=16.6129, f=3, i=8) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=538.2865 91603
+CHARGE=2+
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+BEGIN IONS
+TITLE=22: Scan 578 (rt=16.5923, f=2, i=10) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+BEGIN IONS
+TITLE=23: Scan 580 (rt=16.6334, f=4, i=7) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=24: Scan 582 (rt=16.6954, f=2, i=11) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=25: Scan 583 (rt=16.7159, f=3, i=9) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=518.26764 54747
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+RTINSECONDS=1002.954
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+END IONS
+
+BEGIN IONS
+TITLE=26: Scan 584 (rt=16.7364, f=4, i=8) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=27: Scan 586 (rt=16.7984, f=2, i=12) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=28: Scan 587 (rt=16.819, f=3, i=10) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=29: Scan 588 (rt=16.8395, f=4, i=9) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=30: Scan 590 (rt=16.9014, f=2, i=13) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=31: Scan 591 (rt=16.922, f=3, i=11) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=32: Scan 592 (rt=16.9425, f=4, i=10) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=33: Scan 594 (rt=17.0046, f=2, i=14) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=34: Scan 596 (rt=17.0456, f=4, i=11) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=35: Scan 599 (rt=17.1205, f=2, i=15) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+SCANS=599
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+END IONS
+
+BEGIN IONS
+TITLE=36: Scan 601 (rt=17.1615, f=4, i=12) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=37: Scan 603 (rt=17.2236, f=2, i=16) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=456.7415 134070
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+END IONS
+
+BEGIN IONS
+TITLE=38: Scan 604 (rt=17.2441, f=3, i=14) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=687.84959 26047
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+RTINSECONDS=1034.644
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+BEGIN IONS
+TITLE=39: Scan 605 (rt=17.2646, f=4, i=13) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=40: Scan 607 (rt=17.3266, f=2, i=17) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=41: Scan 608 (rt=17.3471, f=3, i=15) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=42: Scan 609 (rt=17.3677, f=4, i=14) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=43: Scan 611 (rt=17.4297, f=2, i=18) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=420.23583 9898
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+SCANS=611
+RTINSECONDS=1045.7821
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+
+BEGIN IONS
+TITLE=44: Scan 612 (rt=17.4502, f=3, i=16) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=45: Scan 613 (rt=17.4707, f=4, i=15) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=46: Scan 615 (rt=17.5328, f=2, i=19) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=47: Scan 616 (rt=17.5533, f=3, i=17) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=48: Scan 617 (rt=17.5738, f=4, i=16) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=588.28065 5883
+CHARGE=2+
+SCANS=617
+RTINSECONDS=1054.4279
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+END IONS
+
+BEGIN IONS
+TITLE=49: Scan 619 (rt=17.6358, f=2, i=20) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=437.22984 16194
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+SCANS=619
+RTINSECONDS=1058.15
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+END IONS
+
+BEGIN IONS
+TITLE=50: Scan 620 (rt=17.6564, f=3, i=18) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=663.29923 7314
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+SCANS=620
+RTINSECONDS=1059.382
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+END IONS
+
+BEGIN IONS
+TITLE=51: Scan 623 (rt=17.7389, f=2, i=21) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=502.24958 9660
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+SCANS=623
+RTINSECONDS=1064.335
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+END IONS
+
+BEGIN IONS
+TITLE=52: Scan 624 (rt=17.7594, f=3, i=19) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=527.60406 10676
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+END IONS
+
+BEGIN IONS
+TITLE=53: Scan 625 (rt=17.7799, f=4, i=18) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=54: Scan 627 (rt=17.842, f=2, i=22) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=458.23621 20574
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+END IONS
+
+BEGIN IONS
+TITLE=55: Scan 628 (rt=17.8625, f=3, i=20) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=423.21206 14684
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+
+BEGIN IONS
+TITLE=56: Scan 629 (rt=17.883, f=4, i=19) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=57: Scan 632 (rt=17.9579, f=2, i=23) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=423.72067 24273
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+RTINSECONDS=1077.473
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+END IONS
+
+BEGIN IONS
+TITLE=58: Scan 633 (rt=17.9784, f=3, i=21) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=59: Scan 634 (rt=17.9989, f=4, i=20) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=60: Scan 636 (rt=18.0609, f=2, i=24) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=61: Scan 637 (rt=18.0815, f=3, i=22) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=713.82777 6459
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+SCANS=637
+RTINSECONDS=1084.889
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+
+BEGIN IONS
+TITLE=62: Scan 638 (rt=18.102, f=4, i=21) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=63: Scan 640 (rt=18.164, f=2, i=25) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=64: Scan 641 (rt=18.1845, f=3, i=23) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=65: Scan 644 (rt=18.2671, f=2, i=26) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=66: Scan 645 (rt=18.2876, f=3, i=24) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=67: Scan 646 (rt=18.3081, f=4, i=23) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=68: Scan 649 (rt=18.3907, f=3, i=25) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=609.30884 16577
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+END IONS
+
+BEGIN IONS
+TITLE=69: Scan 650 (rt=18.4112, f=4, i=24) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=415.20898 26582
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+SCANS=650
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+
+BEGIN IONS
+TITLE=70: Scan 652 (rt=18.4732, f=2, i=28) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=480.25979 36082
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+
+BEGIN IONS
+TITLE=71: Scan 653 (rt=18.4937, f=3, i=26) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=427.19647 95040
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+END IONS
+
+BEGIN IONS
+TITLE=72: Scan 654 (rt=18.5142, f=4, i=25) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=741.353 13032
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+END IONS
+
+BEGIN IONS
+TITLE=73: Scan 656 (rt=18.5762, f=2, i=29) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
+PEPMASS=441.89746 79584
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+
+BEGIN IONS
+TITLE=74: Scan 657 (rt=18.5967, f=3, i=27) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=75: Scan 658 (rt=18.6172, f=4, i=26) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=76: Scan 660 (rt=18.6792, f=2, i=30) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+
+BEGIN IONS
+TITLE=77: Scan 661 (rt=18.6998, f=3, i=28) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N02.raw]
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+BEGIN IONS
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