diff test-data/sample_data_1.mgf @ 4:7a5ff5359b13 draft

"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/metanovo commit c220dc85d59698a73b0f173d46e269e27264d6d8"

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/sample_data_1.mgf	Fri Apr 22 13:31:08 2022 +0000
@@ -0,0 +1,9786 @@
+# 
+# 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 73 (rt=10.7878, f=3, i=1) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=505.82405 2454
+CHARGE=4+
+SCANS=73
+RTINSECONDS=647.26702
+107.96416	0.008214501
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+1494.7554	0.021284712
+1548.3817	0.022028395
+END IONS
+
+BEGIN IONS
+TITLE=2: Scan 74 (rt=10.8083, f=2, i=1) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=404.85321 2354
+CHARGE=2+,3+,4+,5+
+SCANS=74
+RTINSECONDS=648.498
+109.10035	0.0087900636
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+949.48709	0.0308408
+1153.6067	0.03602023
+END IONS
+
+BEGIN IONS
+TITLE=3: Scan 551 (rt=15.8579, f=2, i=2) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=435.07364 16706
+CHARGE=2+,3+,4+,5+
+SCANS=551
+RTINSECONDS=951.47501
+101.08436	0.09491684
+102.07153	0.10646965
+110.07357	1.079991
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+END IONS
+
+BEGIN IONS
+TITLE=4: Scan 552 (rt=15.8784, f=3, i=2) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=1143.4117 3374
+CHARGE=2+
+SCANS=552
+RTINSECONDS=952.70599
+104.10846	0.064710643
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+END IONS
+
+BEGIN IONS
+TITLE=5: Scan 553 (rt=15.899, f=4, i=1) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=1071.8642 3570
+CHARGE=2+
+SCANS=553
+RTINSECONDS=953.93801
+103.03497	0.012622529
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+END IONS
+
+BEGIN IONS
+TITLE=6: Scan 555 (rt=15.961, f=2, i=3) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=488.62744 28685
+CHARGE=2+,3+,4+,5+
+SCANS=555
+RTINSECONDS=957.66003
+101.0751	0.086755193
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+END IONS
+
+BEGIN IONS
+TITLE=7: Scan 556 (rt=15.9815, f=3, i=3) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=418.96875 23884
+CHARGE=2+,3+,4+,5+
+SCANS=556
+RTINSECONDS=958.89101
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+END IONS
+
+BEGIN IONS
+TITLE=8: Scan 557 (rt=16.002, f=4, i=2) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=586.10374 12508
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+SCANS=557
+RTINSECONDS=960.12199
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+END IONS
+
+BEGIN IONS
+TITLE=9: Scan 559 (rt=16.0641, f=2, i=4) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=633.80342 11653
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+SCANS=559
+RTINSECONDS=963.84396
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+END IONS
+
+BEGIN IONS
+TITLE=10: Scan 560 (rt=16.0846, f=3, i=4) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=437.57152 23150
+CHARGE=3+
+SCANS=560
+RTINSECONDS=965.075
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+END IONS
+
+BEGIN IONS
+TITLE=11: Scan 561 (rt=16.1051, f=4, i=3) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=581.29028 12121
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+SCANS=561
+RTINSECONDS=966.30604
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+END IONS
+
+BEGIN IONS
+TITLE=12: Scan 563 (rt=16.1672, f=2, i=5) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=427.21634 26699
+CHARGE=2+
+SCANS=563
+RTINSECONDS=970.03395
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+END IONS
+
+BEGIN IONS
+TITLE=13: Scan 564 (rt=16.1877, f=3, i=5) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=506.75545 19218
+CHARGE=2+
+SCANS=564
+RTINSECONDS=971.26499
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+BEGIN IONS
+TITLE=14: Scan 565 (rt=16.2083, f=4, i=4) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=15: Scan 568 (rt=16.2831, f=2, i=6) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=16: Scan 569 (rt=16.3036, f=3, i=6) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=17: Scan 570 (rt=16.3242, f=4, i=5) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=18: Scan 572 (rt=16.3862, f=2, i=7) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=527.29655 27995
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+SCANS=572
+RTINSECONDS=983.172
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+END IONS
+
+BEGIN IONS
+TITLE=19: Scan 573 (rt=16.4067, f=3, i=7) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=20: Scan 574 (rt=16.4272, f=4, i=6) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=488.24706 31901
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+END IONS
+
+BEGIN IONS
+TITLE=21: Scan 576 (rt=16.4893, f=2, i=8) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=538.28893 51235
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+END IONS
+
+BEGIN IONS
+TITLE=22: Scan 577 (rt=16.5098, f=3, i=8) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=481.89304 31584
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+END IONS
+
+BEGIN IONS
+TITLE=23: Scan 578 (rt=16.5303, f=4, i=7) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=406.7093 86586
+CHARGE=2+
+SCANS=578
+RTINSECONDS=991.81995
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+END IONS
+
+BEGIN IONS
+TITLE=24: Scan 580 (rt=16.5924, f=2, i=9) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=25: Scan 581 (rt=16.613, f=3, i=9) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=413.7179 58598
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+END IONS
+
+BEGIN IONS
+TITLE=26: Scan 582 (rt=16.6335, f=4, i=8) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=27: Scan 584 (rt=16.6955, f=2, i=10) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=28: Scan 585 (rt=16.7161, f=3, i=10) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=29: Scan 586 (rt=16.7366, f=4, i=9) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=30: Scan 588 (rt=16.7986, f=2, i=11) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=31: Scan 589 (rt=16.8191, f=3, i=11) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=32: Sum of 2 scans in range 590 (rt=16.8396, f=4, i=10) to 596 (rt=17.0049, f=2, i=13) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=33: Scan 592 (rt=16.9017, f=2, i=12) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=442.71042 68565
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+END IONS
+
+BEGIN IONS
+TITLE=34: Scan 593 (rt=16.9222, f=3, i=12) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=548.23766 27504
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+
+BEGIN IONS
+TITLE=35: Scan 594 (rt=16.9427, f=4, i=11) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=36: Scan 597 (rt=17.0254, f=3, i=13) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=37: Scan 598 (rt=17.0459, f=4, i=12) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=38: Scan 601 (rt=17.1207, f=2, i=14) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+BEGIN IONS
+TITLE=39: Sum of 2 scans in range 602 (rt=17.1412, f=3, i=14) to 603 (rt=17.1618, f=4, i=13) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=40: Scan 605 (rt=17.2237, f=2, i=15) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=41: Scan 606 (rt=17.2442, f=3, i=15) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=42: Scan 607 (rt=17.2647, f=4, i=14) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=43: Scan 609 (rt=17.3179, f=2, i=16) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=44: Scan 610 (rt=17.3385, f=3, i=16) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=45: Scan 611 (rt=17.359, f=4, i=15) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=46: Scan 613 (rt=17.421, f=2, i=17) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=47: Scan 614 (rt=17.4415, f=3, i=17) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=406.20399 16257
+CHARGE=2+
+SCANS=614
+RTINSECONDS=1046.492
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+END IONS
+
+BEGIN IONS
+TITLE=48: Scan 615 (rt=17.462, f=4, i=16) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=454.23153 12235
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+SCANS=615
+RTINSECONDS=1047.723
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+END IONS
+
+BEGIN IONS
+TITLE=49: Scan 617 (rt=17.5241, f=2, i=18) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=588.2746 7801
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+SCANS=617
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+END IONS
+
+BEGIN IONS
+TITLE=50: Scan 618 (rt=17.5446, f=3, i=18) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=402.21329 9667
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+END IONS
+
+BEGIN IONS
+TITLE=51: Scan 619 (rt=17.5651, f=4, i=17) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=602.80336 4682
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+SCANS=619
+RTINSECONDS=1053.908
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+END IONS
+
+BEGIN IONS
+TITLE=52: Scan 621 (rt=17.6272, f=2, i=19) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=426.23405 27191
+CHARGE=2+
+SCANS=621
+RTINSECONDS=1057.63
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+END IONS
+
+BEGIN IONS
+TITLE=53: Scan 622 (rt=17.6477, f=3, i=19) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=437.22915 16098
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+SCANS=622
+RTINSECONDS=1058.861
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+END IONS
+
+BEGIN IONS
+TITLE=54: Scan 623 (rt=17.6682, f=4, i=18) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=618.30814 4457
+CHARGE=2+
+SCANS=623
+RTINSECONDS=1060.092
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+END IONS
+
+BEGIN IONS
+TITLE=55: Scan 625 (rt=17.7302, f=2, i=20) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=663.3003 9109
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+SCANS=625
+RTINSECONDS=1063.814
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+END IONS
+
+BEGIN IONS
+TITLE=56: Scan 626 (rt=17.7507, f=3, i=20) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=563.2918 8388
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+SCANS=626
+RTINSECONDS=1065.045
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+END IONS
+
+BEGIN IONS
+TITLE=57: Scan 627 (rt=17.7713, f=4, i=19) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=527.16486 10879
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+RTINSECONDS=1066.277
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+END IONS
+
+BEGIN IONS
+TITLE=58: Scan 629 (rt=17.8333, f=2, i=21) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=527.60177 12108
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+END IONS
+
+BEGIN IONS
+TITLE=59: Scan 630 (rt=17.8538, f=3, i=21) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=512.24809 13672
+CHARGE=2+
+SCANS=630
+RTINSECONDS=1071.23
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+END IONS
+
+BEGIN IONS
+TITLE=60: Sum of 2 scans in range 631 (rt=17.8743, f=4, i=20) to 634 (rt=17.9492, f=2, i=22) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=504.25988 23155
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+RTINSECONDS=1072.461-1076.952
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+END IONS
+
+BEGIN IONS
+TITLE=61: Scan 635 (rt=17.9697, f=3, i=22) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=523.78177 13070
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+SCANS=635
+RTINSECONDS=1078.1841
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+END IONS
+
+BEGIN IONS
+TITLE=62: Scan 636 (rt=17.9902, f=4, i=21) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=639.63739 7929
+CHARGE=2+,3+,4+,5+
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+RTINSECONDS=1079.415
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+END IONS
+
+BEGIN IONS
+TITLE=63: Scan 638 (rt=18.0523, f=2, i=23) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=423.71831 31954
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+SCANS=638
+RTINSECONDS=1083.1371
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+END IONS
+
+BEGIN IONS
+TITLE=64: Scan 639 (rt=18.0728, f=3, i=23) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
+PEPMASS=456.20257 39071
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+SCANS=639
+RTINSECONDS=1084.368
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+BEGIN IONS
+TITLE=65: Scan 640 (rt=18.0933, f=4, i=22) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+BEGIN IONS
+TITLE=66: Scan 642 (rt=18.1553, f=2, i=24) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=67: Scan 643 (rt=18.1759, f=3, i=24) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=68: Scan 644 (rt=18.1964, f=4, i=23) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+END IONS
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+BEGIN IONS
+TITLE=69: Sum of 2 scans in range 646 (rt=18.2584, f=2, i=25) to 647 (rt=18.2789, f=3, i=25) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=70: Scan 648 (rt=18.2994, f=4, i=24) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=71: Scan 650 (rt=18.3615, f=2, i=26) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=72: Scan 651 (rt=18.382, f=3, i=26) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=73: Scan 652 (rt=18.4025, f=4, i=25) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+BEGIN IONS
+TITLE=74: Scan 654 (rt=18.4646, f=2, i=27) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+BEGIN IONS
+TITLE=75: Scan 655 (rt=18.4851, f=3, i=27) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=76: Scan 656 (rt=18.5056, f=4, i=26) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+
+BEGIN IONS
+TITLE=77: Scan 658 (rt=18.5676, f=2, i=28) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+END IONS
+
+BEGIN IONS
+TITLE=78: Sum of 2 scans in range 659 (rt=18.5882, f=3, i=28) to 660 (rt=18.6087, f=4, i=27) [F:\Distiller Data\Lab212\Nitrosylation\YiJu\100512_SNOCRC\YJC_100327SNOCRC_B11b372_N01.raw]
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+END IONS