1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187
|
<?xml version="1.0" encoding="UTF-8"?>
<TraML version="1.0.0" xmlns="http://psi.hupo.org/ms/traml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/traml TraML1.0.0.xsd">
<cvList>
<cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" version="unknown" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/>
<cv id="UO" fullName="Unit Ontology" version="unknown" URI="http://obo.cvs.sourceforge.net/obo/obo/ontology/phenotype/unit.obo"/>
</cvList>
<ProteinList>
<Protein id="ProteinA">
<cvParam cvRef="MS" accession="MS:1000885" name="protein accession" value="uniprot_nr_1"/>
<Sequence></Sequence>
</Protein>
<Protein id="ProteinC">
<cvParam cvRef="MS" accession="MS:1000885" name="protein accession" value="uniprot_nr_2"/>
<Sequence></Sequence>
</Protein>
</ProteinList>
<CompoundList>
<Peptide id="tr_gr1" sequence="PEPTIDEA">
<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="2"/>
<cvParam cvRef="MS" accession="MS:1000893" name="peptide group label" value="light"/>
<userParam name="full_peptide_name" type="xsd:string" value="PEPTIDEA"/>
<ProteinRef ref="ProteinA"/>
<RetentionTimeList>
<RetentionTime>
<cvParam cvRef="MS" accession="MS:1000896" name="normalized retention time" value="0.44"/>
</RetentionTime>
</RetentionTimeList>
</Peptide>
<Peptide id="tr_gr2" sequence="PEPTIDECE">
<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="2"/>
<cvParam cvRef="MS" accession="MS:1000893" name="peptide group label" value="light"/>
<userParam name="full_peptide_name" type="xsd:string" value="PEPT(Phospho)IDEC(Carbamidomethyl)E"/>
<ProteinRef ref="ProteinA"/>
<Modification location="4" monoisotopicMassDelta="79.966331" averageMassDelta="79.9799">
<cvParam cvRef="UNIMOD" accession="UNIMOD:21" name="Phospho"/>
</Modification>
<Modification location="8" monoisotopicMassDelta="57.021464" averageMassDelta="57.0513">
<cvParam cvRef="UNIMOD" accession="UNIMOD:4" name="Carbamidomethyl"/>
</Modification>
<RetentionTimeList>
<RetentionTime>
<cvParam cvRef="MS" accession="MS:1000896" name="normalized retention time" value="0.2"/>
</RetentionTime>
</RetentionTimeList>
</Peptide>
<Peptide id="78" sequence="QVFIGCPASVADQDAFERR">
<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="3"/>
<cvParam cvRef="MS" accession="MS:1000893" name="peptide group label" value="light"/>
<userParam name="full_peptide_name" type="xsd:string" value="(UniMod:5)QVFIGC(UniMod:4)PASVADQDAFERR(UniMod:11)"/>
<ProteinRef ref="ProteinC"/>
<Modification location="0" monoisotopicMassDelta="43.005814" averageMassDelta="43.0247">
<cvParam cvRef="UNIMOD" accession="UNIMOD:5" name="Carbamyl"/>
</Modification>
<Modification location="20" monoisotopicMassDelta="-48.003371" averageMassDelta="-48.1075">
<cvParam cvRef="UNIMOD" accession="UNIMOD:11" name="Met->Hsl"/>
</Modification>
<Modification location="6" monoisotopicMassDelta="57.021464" averageMassDelta="57.0513">
<cvParam cvRef="UNIMOD" accession="UNIMOD:4" name="Carbamidomethyl"/>
</Modification>
<RetentionTimeList>
<RetentionTime>
<cvParam cvRef="MS" accession="MS:1000896" name="normalized retention time" value="52.2"/>
</RetentionTime>
</RetentionTimeList>
</Peptide>
</CompoundList>
<TransitionList>
<Transition id="tr1" peptideRef="tr_gr1">
<Precursor>
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="500" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
</Precursor>
<Product>
<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="2"/>
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="628.435"/>
<InterpretationList>
<Interpretation>
<cvParam cvRef="MS" accession="MS:1000903" name="product ion series ordinal" value="1"/>
<cvParam cvRef="MS" accession="MS:1000926" name="product interpretation rank" value="1"/>
<cvParam cvRef="MS" accession="MS:1001224" name="frag: b ion"/>
</Interpretation>
</InterpretationList>
</Product>
<cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="1"/>
<cvParam cvRef="MS" accession="MS:1001226" name="product ion intensity" value="1"/>
<cvParam cvRef="MS" accession="MS:1002007" name="target SRM transition"/>
<userParam name="annotation" type="xsd:string" value="y5"/>
</Transition>
<Transition id="tr2" peptideRef="tr_gr1">
<Precursor>
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="500" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
</Precursor>
<Product>
<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="2"/>
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="654.38"/>
<InterpretationList>
<Interpretation>
<cvParam cvRef="MS" accession="MS:1000903" name="product ion series ordinal" value="2"/>
<cvParam cvRef="MS" accession="MS:1000926" name="product interpretation rank" value="1"/>
<cvParam cvRef="MS" accession="MS:1001224" name="frag: b ion"/>
</Interpretation>
</InterpretationList>
</Product>
<cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="1"/>
<cvParam cvRef="MS" accession="MS:1001226" name="product ion intensity" value="2"/>
<cvParam cvRef="MS" accession="MS:1002007" name="target SRM transition"/>
<userParam name="annotation" type="xsd:string" value="y6"/>
</Transition>
<Transition id="tr3" peptideRef="tr_gr2">
<Precursor>
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="501" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
</Precursor>
<Product>
<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="2"/>
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="618.31"/>
<InterpretationList>
<Interpretation>
<cvParam cvRef="MS" accession="MS:1000903" name="product ion series ordinal" value="3"/>
<cvParam cvRef="MS" accession="MS:1000926" name="product interpretation rank" value="1"/>
<cvParam cvRef="MS" accession="MS:1001220" name="frag: y ion"/>
</Interpretation>
</InterpretationList>
</Product>
<cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="1"/>
<cvParam cvRef="MS" accession="MS:1001226" name="product ion intensity" value="10000"/>
<cvParam cvRef="MS" accession="MS:1002007" name="target SRM transition"/>
<userParam name="annotation" type="xsd:string" value="y4"/>
</Transition>
<Transition id="tr4" peptideRef="tr_gr2">
<Precursor>
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="501" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
</Precursor>
<Product>
<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="2"/>
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="628.435"/>
<InterpretationList>
<Interpretation>
<cvParam cvRef="MS" accession="MS:1000903" name="product ion series ordinal" value="4"/>
<cvParam cvRef="MS" accession="MS:1000926" name="product interpretation rank" value="1"/>
<cvParam cvRef="MS" accession="MS:1001220" name="frag: y ion"/>
</Interpretation>
</InterpretationList>
</Product>
<cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="1"/>
<cvParam cvRef="MS" accession="MS:1001226" name="product ion intensity" value="2000"/>
<cvParam cvRef="MS" accession="MS:1002007" name="target SRM transition"/>
<userParam name="annotation" type="xsd:string" value="y5"/>
</Transition>
<Transition id="tr5" peptideRef="tr_gr2">
<Precursor>
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="501" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
</Precursor>
<Product>
<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="3"/>
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="651.3"/>
<InterpretationList>
<Interpretation>
<cvParam cvRef="MS" accession="MS:1000903" name="product ion series ordinal" value="5"/>
<cvParam cvRef="MS" accession="MS:1000926" name="product interpretation rank" value="1"/>
<cvParam cvRef="MS" accession="MS:1001220" name="frag: y ion"/>
</Interpretation>
</InterpretationList>
</Product>
<cvParam cvRef="MS" accession="MS:1000045" name="collision energy" value="1"/>
<cvParam cvRef="MS" accession="MS:1001226" name="product ion intensity" value="4300"/>
<cvParam cvRef="MS" accession="MS:1002007" name="target SRM transition"/>
<userParam name="annotation" type="xsd:string" value="y6"/>
</Transition>
<Transition id="454" peptideRef="78">
<Precursor>
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="722.685" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
</Precursor>
<Product>
<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="2"/>
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="358.179"/>
<InterpretationList>
<Interpretation>
<cvParam cvRef="MS" accession="MS:1000903" name="product ion series ordinal" value="6"/>
<cvParam cvRef="MS" accession="MS:1000926" name="product interpretation rank" value="1"/>
</Interpretation>
</InterpretationList>
</Product>
<cvParam cvRef="MS" accession="MS:1001226" name="product ion intensity" value="2714"/>
<cvParam cvRef="MS" accession="MS:1002007" name="target SRM transition"/>
<userParam name="annotation" type="xsd:string" value="b3"/>
</Transition>
</TransitionList>
</TraML>
|