<idr:IdentificationResult xmlns:idr="http://www.phenyx-ms.com/namespace/IdentificationResult.html">
<idl:IdentificationList xmlns:idl="http://www.phenyx-ms.com/namespace/IdentificationList.html">
<idl:JobId>342</idl:JobId>
<idl:title><![CDATA[comp-prot]]></idl:title>
<idl:date>2006-01-27</idl:date>
<idl:time>10:12:33</idl:time>
<idl:database name="SwissProt" release="" taxoCriterion="">
<idl:IdentificationAlg name="WideBafScoring" version="pX11" final_yn="yes">
<idl:UsedSample sampleNumber="0"/>
<idl:parameterFile>
<![CDATA[
<!-- the following part is related to the identification algorithm -->
<DbSearchParameters>
<olavHome>__DEFAULT__</olavHome>
<dbPath>__DEFAULT__</dbPath>
<scoring file="toftof_bdal-gbaa-is-im-hmmJ.scoring.xml" instrument="MALDI TOF-TOF" name="default" spectrumType="msms" type="wb"/>
<defaultParentCharge>2</defaultParentCharge>
<peptMassBounds max="3500" min="500"/>
<trustParentMass>medium</trustParentMass>
<rndDbMMLinksFile dico="config/gpsprot-peptides.dico" name="config/gpsprot-peptides-3.mm_links_binary" type="bin"/>
<taxonomyChildListFile name="taxdump/taxdump.childlst.txt"/>
<nbScoreSamples>500</nbScoreSamples>
<randomSeed>yes</randomSeed>
<OneSearchRound>
<peptTolerance unit="ppm" value="100.0"/>
<cleavageEnzyme cleavMode="normal" missedCleavage="1" name="Trypsin"/>
<Modifications>
<OneModif mode="variable" name="Oxidation_M" tol="0"/>
<OneModif mode="variable" name="Cys_CAM_regexp" tol="0"/>
<OneModif mode="variable" name="DEAMID" tol="0"/>
</Modifications>
<conflictResolutionStgy>yes</conflictResolutionStgy>
<acScoreThres>5.0</acScoreThres>
<peptZScoreThres>4.0</peptZScoreThres>
<peptPValueThres>1.0E-4</peptPValueThres>
<peptMinCountingSize>6</peptMinCountingSize>
<speedoScoring>
<speedoScoringTol unit="ppm" value="800.0"/>
<speedoScoringThres>0.2</speedoScoringThres>
<speedoScoringOneSeries>b</speedoScoringOneSeries>
<speedoScoringOneSeries>b++</speedoScoringOneSeries>
<speedoScoringOneSeries>y</speedoScoringOneSeries>
<speedoScoringOneSeries>y++</speedoScoringOneSeries>
</speedoScoring>
</OneSearchRound>
</DbSearchParameters>
]]>
</idl:parameterFile>
<idl:parameters>
<idl:OneParam name="fragTol" value="+600ppm; max(300ppm, 0.2Da)"/>
<idl:OneParam name="parentMaxCharge" value="1"/>
<idl:OneParam name="fragmentationSeries" value="a:a-NH3:b:b-H2O:b-NH3:y:y-H2O:y-NH3"/>
<idl:OneParam name="scoringParam" value="pX11"><![CDATA[GrossBafAA_1.0
GrossBafAA_1.0
max charge 1
fragment tol +600ppm; max(300ppm, 0.2Da)
series weight
Charge = 1+
a
ACFIM w=1.97322/-0.306563 p=0.294118/0.0408848 n=102/12523
DEGHLNQSTVWY w=1.42617/-0.152202 p=0.177885/0.0427328 n=416/37910
a-NH3
DEGHLNQSTVWY w=1.03622/-0.0526565 p=0.0773196/0.0274325 n=194/18263
b
ACFIM w=2.37778/-1.00676 p=0.656863/0.0609279 n=102/12523
DEGHLNQSTVWY w=2.23292/-0.818241 p=0.586538/0.0628858 n=416/37910
KPR w=0.590073/-0.160206 p=0.280488/0.155471 n=82/9944
b-H2O
ACFIM w=2.038/-0.207191 p=0.209302/0.0272699 n=43/6454
DEGHLNQSTVWY w=1.96402/-0.201214 p=0.205882/0.0288838 n=204/24512
b-NH3
ACFIM w=1.67123/-0.184815 p=0.2/0.0376031 n=50/4973
DEGHLNQSTVWY w=1.51015/-0.128338 p=0.149485/0.0330176 n=194/18263
y
CHP w=2.25464/-1.77884 p=0.846154/0.088771 n=52/6973
AFIMDEGLNQSTVWY w=1.83668/-1.32779 p=0.767347/0.122274 n=490/47181
KR w=0.976735/-0.386839 p=0.431034/0.162301 n=58/6223
y-H2O
CHP w=1.58528/-0.256915 p=0.269231/0.055163 n=26/3680
KR w=2.07227/-0.299838 p=0.285714/0.0359712 n=7/695
y-NH3
CHP w=2.28208/-0.505902 p=0.423077/0.0431841 n=26/5025
AFIMDEGLNQSTVWY w=1.70981/-0.274105 p=0.277978/0.0502864 n=277/34920
KR w=1.22516/-0.162605 p=0.2/0.0587424 n=20/3626
IntensitySlice_1.0
IntensitySlice_1.0
max charge 1
fragment tol +600ppm; max(300ppm, 0.2Da)
charge = 1+
b 0.0967 (-0.727) 0.106 (-0.637) 0.181 (-0.0983) 0.305 (0.422) 0.326 (0.489)
b-NH3 0.289 (0.37) 0.237 (0.169) 0.342 (0.537) 0.158 (-0.236) 0.105 (-0.642)
b-H2O 0.24 (0.182) 0.28 (0.336) 0.24 (0.182) 0.28 (0.336) 0.06 (-1.2)
y 0.0747 (-0.985) 0.102 (-0.675) 0.136 (-0.388) 0.224 (0.113) 0.475 (0.865)
y-NH3 0.169 (-0.171) 0.225 (0.117) 0.213 (0.0652) 0.315 (0.453) 0.135 (-0.394)
y-H2O 0.296 (0.393) 0.185 (-0.077) 0.296 (0.393) 0.333 (0.511) 0.0741 (-0.993)
Immo_1.0
Immo_1.0
max charge 1
fragment tol +600ppm; max(300ppm, 0.2Da)
charge = 1+
G (30) 0.2/0.2 (0/0) 0.2/0.2 (0/0) 0.2/0.2 (0/0) 0.2/0.2 (0/0) 0.2/0.2 (0/0)
A (44) 0.2/0.2 (0/0) 0.2/0.2 (0/0) 0.2/0.2 (0/0) 0.2/0.2 (0/0) 0.2/0.2 (0/0)
S (60) 0.2/0.2 (0/0) 0.2/0.2 (0/0) 0.2/0.2 (0/0) 0.2/0.2 (0/0) 0.2/0.2 (0/0)
P (70) 0.167/0.333 (0/0) 0.167/0.167 (0/0) 0.167/0.167 (0/0) 0.167/0.167 (0/0) 0.167/0.167 (0/0)
V (72.1) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0)
T (74) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0)
C (76) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0)
IL (86.1) 0.167/0.167 (0/0) 0.167/0.167 (0/0) 0.167/0.333 (0/0) 0.167/0.167 (0/0) 0.167/0.167 (0/0)
N (87) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0)
D (88) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0) 0.167/0.2 (0/0)
KQ (101) 0.167/0.333 (0/0) 0.167/0.167 (0/0) 0.167/0.167 (0/0) 0.167/0.167 (0/0) 0.167/0.167 (0/0)
E (102) 0.143/0.333 (0/0) 0.143/0.167 (0/0) 0.143/0.167 (0/0) 0.143/0.167 (0/0) 0.143/0.167 (0/0)
M (104) 0.0909/0.167 (0/0) 0.0909/0.167 (0/0) 0.0909/0.167 (0/0) 0.0909/0.167 (0/0) 0.0909/0.333 (0/0)
H (110) 0.0909/0.167 (0/0) 0.182/0.333 (0/0) 0.0909/0.167 (0/0) 0.0909/0.167 (0/0) 0.0909/0.167 (0/0)
F (120) 0.0741/0.111 (0/0) 0.037/0.111 (-1.1/0.08) 0.111/0.222 (-0.693/0.134) 0.0741/0.278 (-1.32/0.248) 0.037/0.278 (-2.01/0.288)
R (129) 0.0714/0.143 (-0.693/0.08) 0.0714/0.143 (-0.693/0.08) 0.0357/0.143 (-1.39/0.118) 0.107/0.214 (-0.693/0.128) 0.0357/0.357 (-2.3/0.405)
Y (136) 0.0286/0.0526 (-0.611/0.0251) 0.0286/0.0526 (-0.611/0.0251) 0.143/0.421 (-1.08/0.392) 0.0571/0.158 (-1.02/0.113) 0.0571/0.316 (-1.71/0.321)
W (159) 0.0526/0.333 (0/0) 0.0263/0.111 (0/0) 0.0526/0.222 (0/0) 0.0263/0.111 (0/0) 0.0526/0.222 (0/0)
HMMBaf_1.1
HMMBaf_1.1
max charge 1
fragment tol +600ppm; max(300ppm, 0.2Da)
charge 1+
series(b,b-NH3) nTerm=yes
alternative model (sorLambda=1, loglikelihood=0) :
hmmJ, alternative: (+),b,b-NH3:
S:
links: S1 (1)
emits: s (1)
S1:
links: S1 (0.623) S2 (0.377)
emits: m (0.0225) f (0.978)
S2:
links: S1 (0.313) S3 (0.687)
emits: m (0.797) f (0.203)
S3:
links: S2 (0.523) S3 (0.477)
emits: m (0.942) f (0.0583)
null model (sorLambda=1, loglikelihood=0) :
mcA, null: (+),b,b-NH3:
S:
links: M1 (0.0217) F1 (0.978)
emits: s (1)
M1:
links: M2 (0.233) F1 (0.767)
emits: m (1)
M2:
links: M2 (0.253) F1 (0.747)
emits: m (1)
F1:
links: M1 (0.0824) F1 (0.918)
emits: f (1)
series(y,y-NH3) nTerm=no
alternative model (sorLambda=1, loglikelihood=0) :
hmmJ, alternative: (-),y,y-NH3:
S:
links: S1 (1)
emits: s (1)
S1:
links: S1 (0.584) S2 (0.416)
emits: m (0.265) f (0.735)
S2:
links: S1 (0.0696) S3 (0.93)
emits: m (0.898) f (0.102)
S3:
links: S2 (0.244) S3 (0.756)
emits: m (0.888) f (0.112)
null model (sorLambda=1, loglikelihood=0) :
mcA, null: (-),y,y-NH3:
S:
links: M1 (0.208) F1 (0.792)
emits: s (1)
M1:
links: M2 (0.224) F1 (0.776)
emits: m (1)
M2:
links: M2 (0.2) F1 (0.8)
emits: m (1)
F1:
links: M1 (0.129) F1 (0.871)
emits: f (1)
]]></idl:OneParam>
</idl:parameters>
<idl:results>
<idl:VariableModif>
<idl:OneModif name="Oxidation_M" delta="16" modifNumber="-1"/>
<idl:OneModif name="Cys_CAM_regexp" delta="57" modifNumber="-1"/>
<idl:OneModif name="DEAMID" delta="0.984" modifNumber="-1"/>
</idl:VariableModif>
<idl:DBMatches>
<idl:DBMatch>
<idl:AC>P35747_WOSIG0</idl:AC>
<idl:ID>ALBU_HORSE</idl:ID>
<idl:SeqVersion></idl:SeqVersion>
<idl:SeqLength>589</idl:SeqLength>
<idl:SeqString start="0" length="589">RGVLRRDTHKSEIAHRFNDLGEKHFKGLVLVAFSQYLQQCPFEDHVKLVNEVTEFAKKCAADESAENCDKSLHTLFGDKLCTVATLRATYGELADCCEKQEPERNECFLTHKDDHPNLPKLKPEPDAQCAAFQEDPDKFLGKYLYEVARRHPYFYGPELLFHAEEYKADFTECCPADDKLACLIPKLDALKERILLSSAKERLKCSSFQNFGERAVKAWSVARLSQKFPKADFAEVSKIVTDLTKVHKECCHGDLLECADDRADLAKYICEHQDSISGKLKACCDKPLLQKSHCIAEVKEDDLPSDLPALAADFAEDKEICKHYKDAKDVFLGTFLYEYSRRHPDYSVSLLLRIAKTYEATLEKCCAEADPPACYRTVFDQFTPLVEEPKSLVKKNCDLFEEVGEYDFQNALIVRYTKKAPQVSTPTLVEIGRTLGKVGSRCCKLPESERLPCSENHLALALNRLCVLHEKTPVSEKITKCCTDSLAERRPCFSALELDEGYVPKEFKAETFTFHADICTLPEDEKQIKKQSALAELVKHKPKATKEQLKTVLGNFSAFVAKCCGREDKEACFAEEGPKLVASSQLALA</idl:SeqString>
<idl:SeqMass>6.64e+04</idl:SeqMass>
<idl:SeqPI>5.95</idl:SeqPI>
<idl:OrigDatabase></idl:OrigDatabase>
<idl:OrigAC>P35747</idl:OrigAC>
<idl:OrigRelease></idl:OrigRelease>
<idl:OrigSeqVersion></idl:OrigSeqVersion>
<idl:MatchDescr><![CDATA[Serum albumin precursor (Allergen Equ c 3)]]></idl:MatchDescr>
<idl:score>5.74</idl:score>
<idl:coverage>0.0204</idl:coverage>
<idl:ExtraDBMatchData>
<idl:OneDBMatchData name="scoreNoZ" value="3.1"/>
</idl:ExtraDBMatchData>
<idl:PeptideMatch matchType="msms">
<idl:spectrum>
<idl:SpectrumDescr>Scan 1 (rt=0)</idl:SpectrumDescr>
<idl:SpectrumRef sampleNumber="0" compoundNumber="2" charge="1" acquTime="-1"/>
</idl:spectrum>
<idl:sequence aaBefore="R" aaAfter="I">RHPDYSVSLLLR</idl:sequence>
<idl:charge>1</idl:charge>
<idl:PeptScore>3.1</idl:PeptScore>
<idl:PeptZScore>5.74</idl:PeptZScore>
<idl:zValue>4.77e-09</idl:zValue>
<idl:spectrumNbMatches>11805</idl:spectrumNbMatches>
<idl:pValue>5.64e-05</idl:pValue>
<idl:validity confidence="1">dbValid</idl:validity>
<idl:PeptSignifScore>0.</idl:PeptSignifScore>
<idl:ScorePercent>1</idl:ScorePercent>
<idl:start>341</idl:start>
<idl:end>352</idl:end>
<idl:frame>-1</idl:frame>
<idl:PeptideDelta>-0.027</idl:PeptideDelta>
<idl:PeptideMass>1454.799</idl:PeptideMass>
<idl:MissedCleav>1</idl:MissedCleav>
<idl:modif>:::::::::::::</idl:modif>
<ionicSeries>
<oneIonicSeries fragType='a'>
<expTheoSpectraMatch len='12'>
<expMoz>129.117:266.207:-1:-1:641.408:-1:827.492:-1:-1:-1:-1:-1</expMoz>
<expIntensity>13655.870:35684.006:-1:-1:17940.429:-1:32218.636:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>0:3:-1:-1:1:-1:2:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>129.113:266.172:363.225:478.252:641.315:728.347:827.416:914.448:1027.532:1140.616:1253.700:1409.801</theoMass>
<deltaMass>-0.003:-0.035:-9999:-9999:-0.093:-9999:-0.076:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='a-NH3'>
<expTheoSpectraMatch len='12'>
<expMoz>112.087:249.183:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>58888.769:86785.012:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>4:4:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>112.076:249.135:346.188:461.215:624.278:711.310:810.379:897.411:1010.495:1123.579:1236.663:1392.764</theoMass>
<deltaMass>-0.011:-0.048:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='b'>
<expTheoSpectraMatch len='12'>
<expMoz>157.122:294.220:-1:506.298:669.462:-1:-1:-1:-1:-1:1281.673:-1</expMoz>
<expIntensity>14303.669:18979.203:-1:43146.458:6423.326:-1:-1:-1:-1:-1:72667.503:-1</expIntensity>
<expIntensitySlice>1:1:-1:3:0:-1:-1:-1:-1:-1:4:-1</expIntensitySlice>
<theoMass>157.108:294.167:391.220:506.247:669.310:756.342:855.411:942.443:1055.527:1168.611:1281.695:1437.796</theoMass>
<deltaMass>-0.013:-0.053:-9999:-0.051:-0.152:-9999:-9999:-9999:-9999:-9999:0.022:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='b-H2O'>
<expTheoSpectraMatch len='12'>
<expMoz>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>-1:-1:-1:-1:-1:738.332:837.400:924.432:1037.516:1150.600:1263.684:1419.786</theoMass>
<deltaMass>-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='b-NH3'>
<expTheoSpectraMatch len='12'>
<expMoz>-1:277.167:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>-1:34408.060:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>-1:3:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>140.071:277.130:374.183:489.210:652.273:739.305:838.374:925.406:1038.490:1151.574:1264.658:1420.759</theoMass>
<deltaMass>-9999:-0.037:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='y'>
<expTheoSpectraMatch len='12'>
<expMoz>-1:1299.593:1162.626:-1:950.571:-1:-1:-1:-1:-1:-1:175.135</expMoz>
<expIntensity>-1:459523.860:51428.879:-1:174294.320:-1:-1:-1:-1:-1:-1:34307.322</expIntensity>
<expIntensitySlice>-1:4:3:-1:4:-1:-1:-1:-1:-1:-1:3</expIntensitySlice>
<theoMass>1455.807:1299.706:1162.647:1065.594:950.567:787.504:700.472:601.403:514.371:401.287:288.203:175.119</theoMass>
<deltaMass>-9999:0.112:0.021:-9999:-0.004:-9999:-9999:-9999:-9999:-9999:-9999:-0.016</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='y-H2O'>
<expTheoSpectraMatch len='12'>
<expMoz>-1:1281.673:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>-1:72667.503:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>-1:4:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>1437.796:1281.695:1144.636:1047.583:932.556:769.493:682.461:583.393:-1:-1:-1:-1</theoMass>
<deltaMass>-9999:0.022:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='y-NH3'>
<expTheoSpectraMatch len='12'>
<expMoz>-1:-1:-1:1048.576:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>-1:-1:-1:38664.519:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>-1:-1:-1:3:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>1438.770:1282.668:1145.610:1048.557:933.530:770.466:683.434:584.366:497.334:384.250:271.166:158.082</theoMass>
<deltaMass>-9999:-9999:-9999:-0.019:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
</ionicSeries>
<idl:ExtraPeptideData>
<idl:OnePeptideData name="nbPotPept" value="11805"/>
<idl:OnePeptideData name="spectrumNbPeaks" value="44"/>
<idl:OnePeptideData name="spectrumGaussianParam" value="-34.892:6.621:0.017(11805)"/>
</idl:ExtraPeptideData>
</idl:PeptideMatch>
</idl:DBMatch>
<idl:DBMatch>
<idl:AC>P08835_WOSIG0</idl:AC>
<idl:ID>ALBU_PIG</idl:ID>
<idl:SeqVersion></idl:SeqVersion>
<idl:SeqLength>589</idl:SeqLength>
<idl:SeqString start="0" length="589">RGVFRRDTYKSEIAHRFKDLGEQYFKGLVLIAFSQHLQQCPYEEHVKLVREVTEFAKTCVADESAENCDKSIHTLFGDKLCAIPSLREHYGDLADCCEKEEPERNECFLQHKNDNPDIPKLKPDPVALCADFQEDEQKFWGKYLYEIARRHPYFYAPELLYYAIIYKDVFSECCQAADKAACLLPKIEHLREKVLTSAAKQRLKCASIQKFGERAFKAWSLARLSQRFPKADFTEISKIVTDLAKVHKECCHGDLLECADDRADLAKYICENQDTISTKLKECCDKPLLEKSHCIAEAKRDELPADLNPLEHDFVEDKEVCKNYKEAKHVFLGTFLYEYSRRHPDYSVSLLLRIAKIYEATLEDCCAKEDPPACYATVFDKFQPLVDEPKNLIKQNCELFEKLGEYGFQNALIVRYTKKVPQVSTPTLVEVARKLGLVGSRCCKRPEEERLSCAEDYLSLVLNRLCVLHEKTPVSEKVTKCCTESLVNRRPCFSALTPDETYKPKEFVEGTFTFHADLCTLPEDEKQIKKQTALVELLKHKPHATEEQLRTVLGNFAAFVQKCCAAPDHEACFAVEGPKFVIEIRGILA</idl:SeqString>
<idl:SeqMass>67525.949</idl:SeqMass>
<idl:SeqPI>6.083</idl:SeqPI>
<idl:OrigDatabase></idl:OrigDatabase>
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<idl:DBMatch>
<idl:AC>Q5XLE4_WOSIG0</idl:AC>
<idl:ID>ALBU_EQUAS</idl:ID>
<idl:SeqVersion></idl:SeqVersion>
<idl:SeqLength>589</idl:SeqLength>
<idl:SeqString start="0" length="589">RGVLRRDTHKSEIAHRFNDLGEKHFKGLVLVAFSQYLQQCPFEDHVKLVNEVTEFAKKCAADESAENCDKSLHTLFGDKLCTVATLRATYGELADCCEKQEPERNECFLTHKDDHPNLPKLKPEPDAQCAAFQEDPDKFLGKYLYEVARRHPYFYGPELLFHAEEYKADFTECCPADDKAGCLIPKLDALKERILLSSAKERLKCSSFQKFGERAFKAWSVARLSQKFPKADFAEVSKIVTDLTKVHKECCHGDLLECADDRADLTKYICEHQDSISGKLKACCDKPLLQKSHCIAEVKEDDLPSDLPALAADFAEDKEICKHYKDAKDVFLGTFLYEYSRRHPDYSVSLLLRIAKTYEATLEKCCAEADPPACYATVFDQFTPLVEEPKSLVKKNCDLFEEVGEYDFQNALIVRYTKKAPQVSTPTLVEIGRTLGKVGSRCCKLPESERLPCSENHLALALNRLCVLHEKTPVSEKITKCCTDSLAERRPCFSALELDEGYIPKEFKAETFTFHADICTLPEDEKQIKKQSALAELVKHKPKATKEQLKTVLGNFSAFVAKCCGAEDKEACFAEEGPKLVASSQLALA</idl:SeqString>
<idl:SeqMass>66327.110</idl:SeqMass>
<idl:SeqPI>5.892</idl:SeqPI>
<idl:OrigDatabase></idl:OrigDatabase>
<idl:OrigAC>Q5XLE4</idl:OrigAC>
<idl:OrigRelease></idl:OrigRelease>
<idl:OrigSeqVersion></idl:OrigSeqVersion>
<idl:MatchDescr><![CDATA[Serum albumin precursor]]></idl:MatchDescr>
<idl:score>5.739</idl:score>
<idl:coverage>0.020</idl:coverage>
<idl:ExtraDBMatchData>
<idl:OneDBMatchData name="scoreNoZ" value="3.103"/>
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<idl:PeptideMatch matchType="msms">
<idl:spectrum>
<idl:SpectrumDescr>Scan 1 (rt=0)</idl:SpectrumDescr>
<idl:SpectrumRef sampleNumber="0" compoundNumber="2" charge="1" acquTime="-1"/>
</idl:spectrum>
<idl:sequence aaBefore="R" aaAfter="I">RHPDYSVSLLLR</idl:sequence>
<idl:charge>1</idl:charge>
<idl:PeptScore>3.1</idl:PeptScore>
<idl:PeptZScore>5.74</idl:PeptZScore>
<idl:zValue>4.77e-09</idl:zValue>
<idl:spectrumNbMatches>11805</idl:spectrumNbMatches>
<idl:pValue>5.64e-05</idl:pValue>
<idl:validity confidence="1">dbValid</idl:validity>
<idl:PeptSignifScore>0.</idl:PeptSignifScore>
<idl:ScorePercent>1</idl:ScorePercent>
<idl:start>341</idl:start>
<idl:end>352</idl:end>
<idl:frame>-1</idl:frame>
<idl:PeptideDelta>-0.027</idl:PeptideDelta>
<idl:PeptideMass>1454.799</idl:PeptideMass>
<idl:MissedCleav>1</idl:MissedCleav>
<idl:modif>:::::::::::::</idl:modif>
<ionicSeries>
<oneIonicSeries fragType='a'>
<expTheoSpectraMatch len='12'>
<expMoz>129.117:266.207:-1:-1:641.408:-1:827.492:-1:-1:-1:-1:-1</expMoz>
<expIntensity>13655.870:35684.006:-1:-1:17940.429:-1:32218.636:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>0:3:-1:-1:1:-1:2:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>129.113:266.172:363.225:478.252:641.315:728.347:827.416:914.448:1027.532:1140.616:1253.700:1409.801</theoMass>
<deltaMass>-0.003:-0.035:-9999:-9999:-0.093:-9999:-0.076:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='a-NH3'>
<expTheoSpectraMatch len='12'>
<expMoz>112.087:249.183:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>58888.769:86785.012:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>4:4:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>112.076:249.135:346.188:461.215:624.278:711.310:810.379:897.411:1010.495:1123.579:1236.663:1392.764</theoMass>
<deltaMass>-0.011:-0.048:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='b'>
<expTheoSpectraMatch len='12'>
<expMoz>157.122:294.220:-1:506.298:669.462:-1:-1:-1:-1:-1:1281.673:-1</expMoz>
<expIntensity>14303.669:18979.203:-1:43146.458:6423.326:-1:-1:-1:-1:-1:72667.503:-1</expIntensity>
<expIntensitySlice>1:1:-1:3:0:-1:-1:-1:-1:-1:4:-1</expIntensitySlice>
<theoMass>157.108:294.167:391.220:506.247:669.310:756.342:855.411:942.443:1055.527:1168.611:1281.695:1437.796</theoMass>
<deltaMass>-0.013:-0.053:-9999:-0.051:-0.152:-9999:-9999:-9999:-9999:-9999:0.022:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='b-H2O'>
<expTheoSpectraMatch len='12'>
<expMoz>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>-1:-1:-1:-1:-1:738.332:837.400:924.432:1037.516:1150.600:1263.684:1419.786</theoMass>
<deltaMass>-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='b-NH3'>
<expTheoSpectraMatch len='12'>
<expMoz>-1:277.167:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>-1:34408.060:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>-1:3:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>140.071:277.130:374.183:489.210:652.273:739.305:838.374:925.406:1038.490:1151.574:1264.658:1420.759</theoMass>
<deltaMass>-9999:-0.037:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='y'>
<expTheoSpectraMatch len='12'>
<expMoz>-1:1299.593:1162.626:-1:950.571:-1:-1:-1:-1:-1:-1:175.135</expMoz>
<expIntensity>-1:459523.860:51428.879:-1:174294.320:-1:-1:-1:-1:-1:-1:34307.322</expIntensity>
<expIntensitySlice>-1:4:3:-1:4:-1:-1:-1:-1:-1:-1:3</expIntensitySlice>
<theoMass>1455.807:1299.706:1162.647:1065.594:950.567:787.504:700.472:601.403:514.371:401.287:288.203:175.119</theoMass>
<deltaMass>-9999:0.112:0.021:-9999:-0.004:-9999:-9999:-9999:-9999:-9999:-9999:-0.016</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='y-H2O'>
<expTheoSpectraMatch len='12'>
<expMoz>-1:1281.673:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>-1:72667.503:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>-1:4:-1:-1:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>1437.796:1281.695:1144.636:1047.583:932.556:769.493:682.461:583.393:-1:-1:-1:-1</theoMass>
<deltaMass>-9999:0.022:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
<oneIonicSeries fragType='y-NH3'>
<expTheoSpectraMatch len='12'>
<expMoz>-1:-1:-1:1048.576:-1:-1:-1:-1:-1:-1:-1:-1</expMoz>
<expIntensity>-1:-1:-1:38664.519:-1:-1:-1:-1:-1:-1:-1:-1</expIntensity>
<expIntensitySlice>-1:-1:-1:3:-1:-1:-1:-1:-1:-1:-1:-1</expIntensitySlice>
<theoMass>1438.770:1282.668:1145.610:1048.557:933.530:770.466:683.434:584.366:497.334:384.250:271.166:158.082</theoMass>
<deltaMass>-9999:-9999:-9999:-0.019:-9999:-9999:-9999:-9999:-9999:-9999:-9999:-9999</deltaMass>
</expTheoSpectraMatch>
</oneIonicSeries>
</ionicSeries>
<idl:ExtraPeptideData>
<idl:OnePeptideData name="nbPotPept" value="11805"/>
<idl:OnePeptideData name="spectrumNbPeaks" value="44"/>
<idl:OnePeptideData name="spectrumGaussianParam" value="-34.892:6.621:0.017(11805)"/>
</idl:ExtraPeptideData>
</idl:PeptideMatch>
</idl:DBMatch>
</idl:DBMatches>
</idl:results>
</idl:IdentificationAlg>
</idl:database>
</idl:IdentificationList>
<anl:AnalysisList xmlns:anl="http://www.phenyx-ms.com/namespaces/AnalysisList.html">
<ple:PeakListExport key="sample_0" spectrumType="msms" xmlns:ple="http://www.phenyx-ms.com/namespaces/PeakListExport.html">
<ple:date>2006-01-27</ple:date>
<ple:time>10:12:33</ple:time>
<ple:PeakDetectionAlg>
<ple:ProgramName>InSilicoSpectro::Spectra::MSMSSpectra</ple:ProgramName>
<ple:ProgramVersion>0.9</ple:ProgramVersion>
<ple:ProgramParameters>
<ple:PParam name="source" value="/home/colinge/lectures/comp-prot/pmf-data/msms/D05.mgf"/>
</ple:ProgramParameters>
</ple:PeakDetectionAlg>
<ple:PeakLists>
<ple:ItemOrder xmlns:ple="namespace/PeakListExport.html">
<ple:item type="moz"/>
<ple:item type="intensity"/>
<ple:item type="charge"/>
</ple:ItemOrder>
<ple:MSMSRun>
<ple:sample instrumentId="n/a" spectrumType="msms" origFile="/home/colinge/lectures/comp-prot/pmf-data/msms/D05.mgf" sampleNumber="0" instrument="n/a"/>
<ple:peptide key="sample_0%cmpd_0" xmlns:ple="namespace/PeakListExport.html">
<ple:PeptideDescr>Scan 1 (rt=0)</ple:PeptideDescr>
<ple:acquTime></ple:acquTime>
<ple:ParentMass><![CDATA[1274.6688 101.2746688 1]]></ple:ParentMass>
<ple:peaks><![CDATA[
70.055926 21890.893 ?
84.07029 190618.11 ?
86.08835 48041.786 ?
101.06895 85612.919 ?
102.05223 31059.227 ?
110.07855 12273.367 ?
120.07774 156257.48 ?
129.10223 189553.08 ?
136.08118 45040.596 ?
141.09701 10711.34 ?
147.10905 34860.069 ?
159.08667 9312.3351 ?
171.12333 11685.916 ?
187.08284 19148.498 ?
195.14195 4860.5403 ?
201.13344 28809.349 ?
229.13784 21399.698 ?
231.16296 5537.5808 ?
244.15123 26944.199 ?
247.14498 13188.36 ?
254.14955 6433.6374 ?
258.13103 20365.534 ?
264.17176 17005.765 ?
272.14362 28097.524 ?
276.19273 29461.717 ?
283.15483 7436.9681 ?
286.16627 24657.617 ?
294.1929 34819.736 ?
297.17248 6061.0304 ?
315.15956 24618.927 ?
385.23276 17206.842 ?
391.22743 68334.169 ?
442.27397 25359.275 ?
457.26266 28019.65 ?
511.32568 25418.056 ?
543.27053 24439.023 ?
585.31502 89088.826 ?
595.54099 16028.109 ?
671.3522 7625.1643 ?
690.35506 51789.285 ?
707.35286 35246.074 ?
714.36324 57598.211 ?
771.37142 103819.82 ?
801.09943 24119.711 ?
818.39138 83223.958 ?
825.45984 47464.796 ?
884.42957 119636.01 ?
953.46431 60368.767 ?
981.43834 116370.47 ?
999.44228 98317.934 ?
1022.4615 10015.423 ?
1128.4306 105610.17 ?
1146.4219 34054.723 ?
1190.8205 7715.9138 ?
]]></ple:peaks>
</ple:peptide>
<ple:peptide key="sample_0%cmpd_1" xmlns:ple="namespace/PeakListExport.html">
<ple:PeptideDescr>Scan 1 (rt=0)</ple:PeptideDescr>
<ple:acquTime></ple:acquTime>
<ple:ParentMass><![CDATA[1345.7295 101.3457295 1]]></ple:ParentMass>
<ple:peaks><![CDATA[
70.042275 51119.247 ?
70.07065 143258.66 ?
74.057386 13376.26 ?
84.072872 132872.27 ?
86.091212 68772.792 ?
87.069269 28804.039 ?
101.0728 92077.272 ?
102.05235 50299.65 ?
110.07365 701831.89 ?
112.08782 39344.813 ?
116.06491 21357.429 ?
122.07272 8684.7779 ?
129.10302 112000.46 ?
138.07624 35276.17 ?
155.10189 79148.35 ?
158.10527 34417.434 ?
162.11672 12126.799 ?
166.06944 113643.26 ?
175.13123 105843.74 ?
181.12143 63109.948 ?
185.13431 14838.546 ?
191.12972 14341.023 ?
197.15082 11522.661 ?
207.14178 161151.39 ?
209.12178 112013.39 ?
213.10929 8529.8947 ?
229.14761 55755.59 ?
231.12718 42710.46 ?
235.1433 286698.5 ?
248.16134 12093.524 ?
266.18278 75788.362 ?
271.20825 34026.373 ?
284.17143 11514.416 ?
288.2103 41567.247 ?
292.19287 14194.483 ?
306.19162 84993.196 ?
310.20025 26260.324 ?
342.25472 44846.178 ?
363.23965 28358.565 ?
416.27854 105785.6 ?
470.33198 50905.231 ?
500.28936 9002.9626 ?
545.32192 119695.49 ?
571.34667 38157.473 ?
599.38463 55682.481 ?
602.3953 12839.862 ?
665.33853 13796.255 ?
674.40306 82274.033 ?
729.45522 52067.569 ?
775.42043 77879.444 ?
783.41327 9542.989 ?
846.46431 82189.916 ?
901.536 53168.919 ?
930.41451 49626.588 ?
958.55366 19185.505 ?
973.48863 34638.471 ?
1037.602 63638.556 ?
1058.5135 66914.896 ?
1063.5137 148286.44 ?
1078.6411 76611.701 ?
1080.5326 202689.31 ?
1143.5067 16747.042 ?
1171.5112 110553.64 ?
1189.519 86899.842 ?
1218.1697 22959.029 ?
1301.5021 23536.288 ?
1346.1264 3523864.3 ?
1348.1677 830475.77 ?
1411.3621 14469.146 ?
]]></ple:peaks>
</ple:peptide>
<ple:peptide key="sample_0%cmpd_2" xmlns:ple="namespace/PeakListExport.html">
<ple:PeptideDescr>Scan 1 (rt=0)</ple:PeptideDescr>
<ple:acquTime></ple:acquTime>
<ple:ParentMass><![CDATA[1455.8335 101.4558335 1]]></ple:ParentMass>
<ple:peaks><![CDATA[
70.058071 87584.074 ?
72.074814 16659.734 ?
86.090183 67419.509 ?
87.073288 17141.559 ?
110.07183 86326.456 ?
112.08707 58888.769 ?
129.11682 13655.87 ?
136.08156 27025.299 ?
157.12158 14303.669 ?
166.08127 24413.146 ?
175.13486 34307.322 ?
185.10164 13439.35 ?
187.13441 13725.485 ?
207.15602 15965.712 ?
213.1113 44265.34 ?
217.13357 16925.692 ?
235.14765 30118.719 ?
249.18293 86785.012 ?
256.1673 6176.9446 ?
266.2073 35684.006 ?
274.18611 10395.345 ?
277.16701 34408.06 ?
294.21985 18979.203 ?
366.18702 6413.2352 ?
376.20179 20596.697 ?
408.27411 15892.3 ?
445.26572 7208.057 ?
455.37708 7014.1575 ?
463.27761 21006.699 ?
506.29793 43146.458 ?
641.40818 17940.429 ?
669.46218 6423.3264 ?
813.4759 32236.055 ?
827.49158 32218.636 ?
950.57124 174294.32 ?
1048.5762 38664.519 ?
1098.6684 21749.712 ?
1162.6256 51428.879 ?
1211.7118 25763.875 ?
1254.7345 38993.227 ?
1281.6733 72667.503 ?
1299.5932 459523.86 ?
1324.7145 24176.608 ?
1345.5416 29381.532 ?
]]></ple:peaks>
</ple:peptide>
<ple:peptide key="sample_0%cmpd_3" xmlns:ple="namespace/PeakListExport.html">
<ple:PeptideDescr>Scan 1 (rt=0)</ple:PeptideDescr>
<ple:acquTime></ple:acquTime>
<ple:ParentMass><![CDATA[1479.8329 101.4798329 1]]></ple:ParentMass>
<ple:peaks><![CDATA[
70.06246 76344.55 ?
72.079486 96173.093 ?
86.097306 442701.96 ?
88.086753 29089.009 ?
101.07683 145974.24 ?
102.05967 162816.68 ?
112.09553 69706.353 ?
116.08533 25137.816 ?
120.08972 178080.21 ?
129.11232 26346.995 ?
136.09041 263818.4 ?
143.12781 33474.057 ?
158.11001 51518.242 ?
159.09098 44639.787 ?
165.12585 23306.502 ?
171.13558 143070.59 ?
175.13085 344693.79 ?
177.12494 58185.895 ?
186.11186 73285.671 ?
187.09934 56721.495 ?
199.18381 58059.577 ?
205.12179 32117.348 ?
221.13177 44514.161 ?
222.13616 13262.149 ?
230.15124 38552.722 ?
243.15914 110302.26 ?
247.13889 10593.459 ?
249.15825 16811.268 ?
257.19411 67047.275 ?
265.16614 44699.347 ?
274.21367 87667.475 ?
276.18107 59696.241 ?
300.20565 178976.47 ?
314.19886 60785.22 ?
329.24868 40114.334 ?
333.20338 50659.454 ?
342.26663 62444.592 ?
350.19051 61863.617 ?
368.23285 21279.021 ?
370.2811 24091.198 ?
373.22112 16701.462 ?
387.31301 62235.643 ?
390.24032 20339.052 ?
407.2253 71498.383 ?
410.25798 14338.73 ?
412.29951 14014.876 ?
427.29312 32361.364 ?
435.28492 57212.382 ?
441.35766 67589.424 ?
447.26696 20230.703 ?
500.40733 66929.184 ?
512.37803 64313.178 ?
518.30292 48261.18 ?
520.3142 22833.294 ?
526.36352 19780.825 ?
554.3327 38770.951 ?
571.43912 216395.29 ?
625.48777 66282.415 ?
639.39566 19673.131 ?
668.45321 80736.75 ?
685.49001 68642.921 ?
739.5593 64500.517 ?
795.4143 15488.238 ?
813.52909 58691.868 ?
886.67151 17639.204 ?
952.50163 21459.975 ?
980.50448 115330.26 ?
1017.667 65376.72 ?
1065.6059 17397.07 ?
1083.7161 19063.875 ?
1180.6502 187272.92 ?
1182.1424 27156.47 ?
1234.7224 42583.343 ?
1305.642 22160.444 ?
1404.8005 15947.202 ?
1412.9754 20047.318 ?
1500.9509 17084.138 ?
1511.0066 16656.559 ?
1524.3999 19252.554 ?
1533.6059 21622.443 ?
1547.9668 18261.837 ?
]]></ple:peaks>
</ple:peptide>
<ple:peptide key="sample_0%cmpd_4" xmlns:ple="namespace/PeakListExport.html">
<ple:PeptideDescr>Scan 1 (rt=0)</ple:PeptideDescr>
<ple:acquTime></ple:acquTime>
<ple:ParentMass><![CDATA[1623.9795 101.6239795 1]]></ple:ParentMass>
<ple:peaks><![CDATA[
70.061975 255193.26 ?
70.156459 73721.502 ?
72.079355 80688.451 ?
84.078716 127870.06 ?
86.090405 46810.582 ?
87.076832 30987.355 ?
88.075651 12526.331 ?
101.10165 97734.72 ?
112.08775 63850.788 ?
115.09287 37314.617 ?
116.08811 20763.302 ?
129.11332 98250.078 ?
171.13812 42899.5 ?
175.13644 149769.14 ?
181.14021 67511.49 ?
183.16505 42207.116 ?
187.15722 22979.324 ?
200.18489 63241.383 ?
201.13868 25439.23 ?
226.15467 318592.77 ?
229.15792 69028.941 ?
246.18411 48624.096 ?
268.20506 9739.1663 ?
314.2256 44600.067 ?
325.24176 146419.1 ?
345.25833 94250.3 ?
394.26781 21503.821 ?
399.28495 57440.08 ?
412.29378 59944.59 ?
474.32897 50319.25 ?
513.33695 15973.767 ?
529.34589 13609.117 ?
540.39278 25941.926 ?
542.37959 39736.863 ?
573.39677 36278.664 ?
627.44395 37434.717 ?
630.41505 35863.93 ?
686.50003 54226.491 ?
740.51324 48651.2 ?
754.57613 33522.064 ?
884.58833 156929.42 ?
985.6109 73945.377 ?
1023.5966 17341.045 ?
1065.5483 13577.031 ?
1072.6602 53416.155 ?
1118.6169 12682.977 ?
1163.7085 14530.774 ?
1171.6794 34469.616 ?
1225.7679 42267.983 ?
1353.7828 37748.967 ?
1371.4775 13564.534 ?
1394.812 46040.12 ?
1396.7297 92550.894 ?
1449.7627 44780.746 ?
1515.0194 15800.848 ?
1528.9704 13136.069 ?
1546.6229 16362.649 ?
1585.5592 23583.541 ?
]]></ple:peaks>
</ple:peptide>
<ple:peptide key="sample_0%cmpd_5" xmlns:ple="namespace/PeakListExport.html">
<ple:PeptideDescr>Scan 1 (rt=0)</ple:PeptideDescr>
<ple:acquTime></ple:acquTime>
<ple:ParentMass><![CDATA[1783.8464 101.7838464 1]]></ple:ParentMass>
<ple:peaks><![CDATA[
70.064 40780.992 ?
84.063773 13893.813 ?
86.099143 12994.813 ?
101.07163 22055.811 ?
105.08142 16073.927 ?
110.07812 348523.15 ?
129.11907 9829.8986 ?
134.03787 9298.4154 ?
138.10565 15375.488 ?
147.14433 14498.574 ?
166.08945 6282.6049 ?
209.17125 32905.158 ?
216.13832 23434.339 ?
223.18543 29281.042 ?
233.18557 29895.972 ?
234.17308 22144.334 ?
237.19525 21608.164 ?
242.18493 22158.709 ?
251.19034 32358.582 ?
267.15551 23630.536 ?
272.13672 13883.385 ?
279.18024 5572.9453 ?
294.15853 19203.918 ?
353.22208 234453.8 ?
383.29509 46802.634 ?
390.23732 31732.593 ?
396.2407 10444.913 ?
401.21717 7677.0226 ?
407.29095 15959.916 ?
438.32227 8452.3762 ?
449.31262 7821.8567 ?
466.33184 71082.603 ?
512.32627 34731.664 ?
519.31735 35007.307 ?
566.38866 12530.591 ?
594.38914 71776.349 ?
628.40876 9925.6598 ?
641.43299 15433.182 ?
656.33036 11133.978 ?
722.44247 73274.388 ?
883.45392 107163.74 ?
901.49639 241513.57 ?
1004.8457 15507.832 ?
1062.4973 170808.17 ?
1065.5184 21950.809 ?
1143.4983 10652.721 ?
1190.5526 116578.84 ?
1272.5662 102827.36 ?
1318.5618 115094.55 ?
1401.5969 139990.48 ?
1418.554 16934.716 ?
1431.6445 97796.468 ?
1511.553 77170.556 ?
1538.605 164020.84 ?
1568.6614 124702.68 ?
1609.6271 78255.046 ?
1629.0262 15167.595 ?
1637.5432 112689.9 ?
1655.5925 68221.834 ?
1689.308 19759.738 ?
1718.9753 16936.972 ?
]]></ple:peaks>
</ple:peptide>
<ple:peptide key="sample_0%cmpd_6" xmlns:ple="namespace/PeakListExport.html">
<ple:PeptideDescr>Scan 1 (rt=0)</ple:PeptideDescr>
<ple:acquTime></ple:acquTime>
<ple:ParentMass><![CDATA[1910.9807 101.9109807 1]]></ple:ParentMass>
<ple:peaks><![CDATA[
70.06126 248092.91 ?
70.161802 76800.651 ?
84.08114 50725.33 ?
86.107949 29797.647 ?
87.07468 17050.597 ?
110.07923 64094.183 ?
112.09759 150113.44 ?
115.10713 7135.5586 ?
120.09419 28622.724 ?
129.11076 91915.132 ?
136.08627 18750.68 ?
140.09085 14112.517 ?
147.15331 13423.696 ?
157.11914 25807.22 ?
159.08825 7111.4915 ?
167.14435 26395.079 ?
171.12968 12359.025 ?
175.13771 10080.503 ?
185.13644 22480.933 ?
192.13207 7985.0951 ?
195.14915 31030.754 ?
209.16626 26398.449 ?
213.11766 43232.251 ?
226.18211 22052.73 ?
231.12276 35602.735 ?
237.16957 55518.057 ?
244.20071 74835.827 ?
254.17806 50759.356 ?
259.10513 54876.6 ?
272.20561 22244.957 ?
292.21115 26145.296 ?
297.24055 42970.296 ?
301.19774 15500.942 ?
323.09857 15522.593 ?
342.19134 44914.735 ?
350.17571 14186.577 ?
372.30764 18183.058 ?
387.22801 10074.983 ?
394.14453 29472.362 ?
406.21907 38287.211 ?
415.2245 36375.767 ?
425.2411 44812.753 ?
443.26282 75625.814 ?
493.24039 20980.221 ?
517.31632 78617.864 ?
534.32137 69620.946 ?
550.30201 8994.6208 ?
579.3529 15381.074 ?
604.3719 19263.678 ?
605.3699 34924.52 ?
621.36261 20041.024 ?
649.35099 53417.603 ?
651.42256 28810.4 ?
675.41308 25197.646 ?
692.44018 78668.378 ?
720.3782 43095.569 ?
747.45074 14794.548 ?
763.46028 59880.513 ?
788.49504 24062.229 ?
805.50004 80055.788 ?
808.16355 32116.645 ?
833.45439 19289.234 ?
890.51497 135750.55 ?
908.46856 28269.073 ?
934.49507 72800.255 ?
952.50046 19151.646 ?
977.50778 66116.885 ?
979.45543 108200.33 ?
1014.3943 21126.528 ?
1048.5675 90541.198 ?
1108.4707 34493.301 ?
1129.5413 50774.875 ?
1146.5727 617311.55 ?
1149.4953 42390.356 ?
1189.6873 44390.334 ?
1245.5779 129046.78 ?
1275.587 136256.46 ?
1393.4716 81950.073 ?
1457.5682 114075.18 ?
1492.4981 92167.392 ?
1511.7839 114258.7 ?
1528.7888 23358.836 ?
1539.6149 80108.632 ?
1556.7158 82720.775 ?
1621.4431 98173.867 ?
1650.7221 110070.34 ?
1657.6877 152651.71 ?
1660.4818 73715.718 ?
1667.6797 143783.32 ?
1685.6839 22658.58 ?
1754.6278 54399.135 ?
1782.6818 357883.19 ?
1793.2857 27530.21 ?
1818.7925 116842.3 ?
1992.6139 18817.915 ?
1999.5882 13469.719 ?
2004.0079 16240.258 ?
]]></ple:peaks>
</ple:peptide>
<ple:peptide key="sample_0%cmpd_7" xmlns:ple="namespace/PeakListExport.html">
<ple:PeptideDescr>Scan 1 (rt=0)</ple:PeptideDescr>
<ple:acquTime></ple:acquTime>
<ple:ParentMass><![CDATA[1921.7841 101.9217841 1]]></ple:ParentMass>
<ple:peaks><![CDATA[
70.059292 105430.22 ?
84.081382 21107.913 ?
86.101113 14847.349 ?
110.07474 173407.65 ?
112.09697 39463.136 ?
120.09003 20218.148 ?
129.11225 33434.749 ?
134.03942 22790.555 ?
141.11108 13437.981 ?
157.12884 12179.421 ?
185.10701 11135.703 ?
201.12802 11687.158 ?
213.11234 32170.939 ?
219.12604 11939.731 ?
233.08022 16238.544 ?
239.16211 21927.436 ?
244.19143 40206.307 ?
254.16099 9208.9887 ?
259.1141 20006.19 ?
267.15458 29226.31 ?
288.19267 6738.2754 ?
295.09351 38095.653 ?
301.21892 51193.909 ?
302.13589 57320.959 ?
322.19858 46728.966 ?
323.10615 82598.852 ?
338.22543 30241.034 ?
350.1962 58247.522 ?
380.2118 33863.046 ?
394.1454 104836.59 ?
430.29504 37579.58 ?
451.23506 14496.38 ?
465.172 48543.197 ?
479.29004 72906.375 ?
529.34851 11113.05 ?
550.32646 56614.667 ?
552.50432 24871.907 ?
600.38698 50007.571 ?
711.34345 16579.67 ?
747.4521 69766.736 ?
908.47426 113666.12 ?
943.39621 124382.45 ?
979.51317 175977.65 ?
1014.4086 108500.97 ?
1049.6421 14859.463 ?
1058.6185 22977.316 ?
1108.5475 143310.47 ?
1111.8322 25525.861 ?
1146.5749 227951.56 ?
1149.4425 29721.115 ?
1175.3862 131621.32 ?
1245.5771 291729.25 ?
1265.9584 30022.907 ?
1294.4786 22191.577 ?
1322.4825 139892.24 ?
1393.4734 246700.28 ?
1457.6291 273375.81 ?
1492.5205 232532.32 ?
1528.6657 86585.726 ?
1530.8276 26034.741 ?
1599.6669 64177.296 ?
1621.5154 330718.29 ?
1624.3766 71008.349 ?
1678.4998 150230.78 ?
1716.5423 16971.798 ?
1782.6478 38852.227 ?
1794.4122 20895.442 ?
1875.8462 32819.976 ?
1947.1258 20691.015 ?
1980.1363 15610.608 ?
1985.7751 17396.881 ?
]]></ple:peaks>
</ple:peptide>
<ple:peptide key="sample_0%cmpd_8" xmlns:ple="namespace/PeakListExport.html">
<ple:PeptideDescr>Scan 1 (rt=0)</ple:PeptideDescr>
<ple:acquTime></ple:acquTime>
<ple:ParentMass><![CDATA[2104.042 102.104042 1]]></ple:ParentMass>
<ple:peaks><![CDATA[
70.250331 57614.406 ?
72.078212 14174.631 ?
84.076407 32951.329 ?
86.095402 35686.614 ?
101.07005 29249.588 ?
110.06747 25528.663 ?
120.09375 25644.434 ?
129.10972 103129.46 ?
134.04363 12539.952 ?
147.11675 10427.094 ?
157.15405 8852.1147 ?
169.15546 44521.262 ?
175.12123 13771.704 ?
185.13363 31171.107 ?
197.15214 42456.195 ?
205.09752 4558.8666 ?
213.11646 97010.656 ?
233.09468 4629.7349 ?
242.22281 35291.347 ?
254.18878 33726.539 ?
258.16169 20422.218 ?
268.20441 84979.316 ?
284.20461 8278.3219 ?
290.16366 19975.996 ?
310.18951 55984.62 ?
312.20389 12636.786 ?
341.31 40142.412 ?
348.15033 33375.084 ?
369.22514 7865.8597 ?
383.21934 62464.202 ?
409.26343 74571.948 ?
452.33669 10240.595 ?
454.32835 12101.872 ?
480.32523 73097.725 ?
519.29737 44028.472 ?
565.41125 20034.663 ?
593.43596 46922.002 ?
608.4619 21814.689 ?
648.40822 56396.089 ?
721.5174 40242.03 ?
728.33679 55701.71 ?
776.44748 48596.355 ?
834.57659 10802.064 ?
900.46099 18279.523 ?
923.47815 116285.14 ?
974.48834 54626.324 ?
992.46074 80582.658 ?
1038.5045 99140.372 ?
1109.5463 117385.91 ?
1181.6393 177570.5 ?
1270.5364 194584.47 ?
1328.682 84371.114 ?
1383.6062 142833.81 ?
1410.1833 20111.83 ?
1454.6458 219705.61 ?
1456.7268 102559.49 ?
1518.5115 18545.626 ?
1526.6101 15534.68 ?
1529.5415 20187.744 ?
1553.6791 45829.562 ?
1585.7662 105742.43 ?
1622.5673 23782.523 ?
1625.5474 14710.144 ?
1650.7358 923784.06 ?
1653.6147 126977.73 ?
1700.7659 175174.46 ?
1723.3118 14129.941 ?
1765.7148 45625.433 ?
1769.7545 28975.135 ?
1778.8542 20986.107 ?
1826.6127 42379.824 ?
1829.7344 104711.41 ?
1862.6832 415816.12 ?
1880.3019 18120.078 ?
1923.812 22331.699 ?
1957.7321 80485.259 ?
1975.6203 66630.827 ?
2050.4869 17143.734 ?
2120.9203 44273.566 ?
2124.6222 19865.385 ?
2128.2533 12551.908 ?
2133.2828 14367.587 ?
]]></ple:peaks>
</ple:peptide>
<ple:peptide key="sample_0%cmpd_9" xmlns:ple="namespace/PeakListExport.html">
<ple:PeptideDescr>Scan 1 (rt=0)</ple:PeptideDescr>
<ple:acquTime></ple:acquTime>
<ple:ParentMass><![CDATA[2116.8936 102.1168936 1]]></ple:ParentMass>
<ple:peaks><![CDATA[
70.682566 62629.017 ?
84.078966 19257.297 ?
86.094692 25989.219 ?
101.08439 12965.913 ?
110.0765 53563.215 ?
112.09572 20155.914 ?
120.09439 9658.2586 ?
129.11533 33246.757 ?
134.03387 9036.7422 ?
166.09787 20138.278 ?
175.13474 41861.425 ?
197.13745 3880.6405 ?
209.1791 19120.84 ?
213.1093 28077.192 ?
220.13019 6585.2531 ?
221.13881 3800.4592 ?
237.17054 19560.014 ?
249.17055 7145.1475 ?
254.18137 15899.299 ?
266.19474 6452.396 ?
268.194 24022.385 ?
286.18023 6622.2139 ?
290.16825 51922.147 ?
310.19851 34374.057 ?
312.19907 4562.3554 ?
348.14671 5573.0158 ?
381.29446 12635.126 ?
383.25774 4889.7248 ?
409.27537 16809.041 ?
476.26725 27779.622 ?
480.30242 30076.756 ?
637.28908 60787.329 ?
766.39696 43007.943 ?
776.39677 9334.2022 ?
787.40606 10950.815 ?
879.45394 47897.561 ?
923.52069 48741.468 ?
925.51177 32327.649 ?
992.49177 245941.78 ?
1089.5217 13733.233 ?
1107.561 59028.272 ?
1109.5801 42613.643 ?
1164.5832 68002.764 ?
1181.5849 67414.703 ?
1238.53 65336.787 ?
1270.5899 66413.362 ?
1301.5792 85356.345 ?
1383.625 51972.428 ?
1430.6958 18259.875 ?
1455.699 67620.776 ?
1462.6049 56753.435 ?
1465.4057 12692.534 ?
1480.7051 45617.862 ?
1623.5837 67792.859 ?
1650.7699 223385.33 ?
1652.6806 54717.026 ?
1700.8133 53825.725 ?
1752.6358 28170.527 ?
1776.8289 8701.9705 ?
1827.6503 175636.39 ?
1830.6506 22835.29 ?
1862.7465 110423.55 ?
1876.9044 14468.569 ?
1880.651 38440.39 ?
1891.8177 11444.215 ?
1915.3802 13473.302 ?
1942.5503 164199.45 ?
2087.1239 36452.426 ?
2137.3137 15892.309 ?
2180.598 12758.124 ?
2191.8467 9206.6198 ?
2202.6728 9724.172 ?
2207.4951 13460.863 ?
2215.2871 10600.711 ?
2221.4293 10471.163 ?
]]></ple:peaks>
</ple:peptide>
</ple:MSMSRun>
</ple:PeakLists>
</ple:PeakListExport>
</anl:AnalysisList>
</idr:IdentificationResult>