<?xml version="1.0" encoding="UTF-8"?>
<XSAMSData xmlns="http://vamdc.org/xml/xsams/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:cml="http://www.xml-cml.org/schema" xsi:schemaLocation="http://vamdc.org/xml/xsams/1.0 http://vamdc.org/xml/xsams/1.0"><Sources><Source sourceID="BIDEADB-2026-04-20-17-32-3">
    <Comments>
    This Source is a self-reference.
    It represents the database and the query that produced the xml document.
    The sourceID contains a timestamp.
    The full URL is given in the tag UniformResourceIdentifier but you need
    to unescape ampersands and angle brackets to re-use it.
    Query was: SELECT ALL WHERE MoleculeStoichiometricFormula = 'C6H4N2O4'
    Query Store Link: https://querystore.vamdc.eu/GetUUIDByToken?queryToken=IDEADB:1434c71c-bdf6-4f81-a506-ac8afcc8e767:get
    </Comments><Year>2026</Year><Category>database</Category><UniformResourceIdentifier>https://ideadb.uibk.ac.at/tap/sync?FORMAT=XSAMS&amp;LANG=VSS2&amp;QUERY=SELECT+ALL+WHERE+MoleculeStoichiometricFormula+%3D+%27C6H4N2O4%27</UniformResourceIdentifier><ProductionDate>2026-04-20</ProductionDate><Authors><Author><Name>N.N.</Name></Author></Authors></Source><Source sourceID="BIDEADB-30"><Authors>
<Author><Name>da Silva, Filipe</Name></Author>
<Author><Name>Denifl, Stephan</Name></Author>
<Author><Name>Probst, Michael</Name></Author>
<Author><Name>Scheier, Paul</Name></Author>
<Author><Name>Märk, Tilmann</Name></Author>
<Author><Name>Mauracher, Andreas</Name></Author>
<Author><Name>Alizadeh, Elahe</Name></Author>
<Author><Name>Limão-Vieira, Paulo</Name></Author>
<Author><Name>Sulzer, Philipp</Name></Author>
</Authors>
<Title>Electron attachment studies to musk ketone and high mass resolution anionic isobaric fragment detection</Title>
<Category>journal</Category>
<Year>2008</Year><Volume>277</Volume><PageBegin>123</PageBegin><PageEnd>129</PageEnd><UniformResourceIdentifier>https://doi.org/10.1016/j.ijms.2008.06.006</UniformResourceIdentifier><DigitalObjectIdentifier>10.1016/j.ijms.2008.06.006</DigitalObjectIdentifier></Source>
</Sources>
<Species>
<Molecules>
<Molecule speciesID="XIDEADB-222">
<MolecularChemicalSpecies>
<OrdinaryStructuralFormula><Value>C6H4N2O4</Value></OrdinaryStructuralFormula><StoichiometricFormula>C6H4N2O4</StoichiometricFormula>
<IonCharge>-1</IonCharge><ChemicalName><Value>1,3-Dinitrobenzene</Value></ChemicalName><InChI>InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H/q-1</InChI><InChIKey>CNUAIGHPMSGIHY-UHFFFAOYSA-N</InChIKey>
<CASRegistryNumber><Value>25154-54-5</Value></CASRegistryNumber><VAMDCSpeciesID></VAMDCSpeciesID>
<StableMolecularProperties>
<MolecularWeight><Value units="amu">168.10696000000002</Value></MolecularWeight></StableMolecularProperties>
</MolecularChemicalSpecies>
</Molecule>
</Molecules>
<Particles><Particle speciesID="XIDEADB-electron" name="electron"><Comments>low energy electrons</Comments><ParticleProperties><ParticleCharge>-1</ParticleCharge></ParticleProperties></Particle></Particles></Species>
<Processes>
<Radiative>
</Radiative>
<Collisions><CollisionalTransition id="PIDEADB-C275"><Comments>X-Values are measured with an energy resolution of 0.070 eV. Therefore every shown peak is the original peak shape convoluted with our resolution. Energy scans are calibrated. Therefore we estimate an error of 0.1 eV</Comments><SourceRef>BIDEADB-30</SourceRef><ProcessClass><Code>elat</Code><IAEACode>EDA</IAEACode></ProcessClass><Reactant><SpeciesRef>XIDEADB-222</SpeciesRef></Reactant><Reactant><SpeciesRef>XIDEADB-electron</SpeciesRef></Reactant><Product><SpeciesRef>XIDEADB-222</SpeciesRef></Product><DataSets><DataSet dataDescription="crossSection"><TabulatedData><Description></Description><X units="eV"><Description>Energy of the impact electron</Description><DataList count='200'>-0.1668 -0.1618 -0.1568 -0.1518 -0.1468 -0.1418 -0.1368 -0.1318 -0.1268 -0.1218 -0.1168 -0.1118 -0.1068 -0.1018 -0.0968 -0.0918 -0.0868 -0.0818 -0.0768 -0.0718 -0.0668 -0.0618 -0.0568 -0.0518 -0.0468 -0.0418 -0.0368 -0.0318 -0.0268 -0.0218 -0.0168 -0.0118 -0.0068 -0.0018 0.0032 0.0082 0.0132 0.0182 0.0232 0.0282 0.0332 0.0382 0.0432 0.0482 0.0532 0.0582 0.0632 0.0682 0.0732 0.0782 0.0832 0.0882 0.0932 0.0982 0.1032 0.1082 0.1132 0.1182 0.1232 0.1282 0.1332 0.1382 0.1432 0.1482 0.1532 0.1582 0.1632 0.1682 0.1732 0.1782 0.1832 0.1882 0.1932 0.1982 0.2032 0.2082 0.2132 0.2182 0.2232 0.2282 0.2332 0.2382 0.2432 0.2482 0.2532 0.2582 0.2632 0.2682 0.2732 0.2782 0.2832 0.2882 0.2932 0.2982 0.3032 0.3082 0.3132 0.3182 0.3232 0.3282 0.3332 0.3382 0.3432 0.3482 0.3532 0.3582 0.3632 0.3682 0.3732 0.3782 0.3832 0.3882 0.3932 0.3982 0.4032 0.4082 0.4132 0.4182 0.4232 0.4282 0.4332 0.4382 0.4432 0.4482 0.4532 0.4582 0.4632 0.4682 0.4732 0.4782 0.4832 0.4882 0.4932 0.4982 0.5032 0.5082 0.5132 0.5182 0.5232 0.5282 0.5332 0.5382 0.5432 0.5482 0.5532 0.5582 0.5632 0.5682 0.5732 0.5782 0.5832 0.5882 0.5932 0.5982 0.6032 0.6082 0.6132 0.6182 0.6232 0.6282 0.6332 0.6382 0.6432 0.6482 0.6532 0.6582 0.6632 0.6682 0.6732 0.6782 0.6832 0.6882 0.6932 0.6982 0.7032 0.7082 0.7132 0.7182 0.7232 0.7282 0.7332 0.7382 0.7432 0.7482 0.7532 0.7582 0.7632 0.7682 0.7732 0.7782 0.7832 0.7882 0.7932 0.7982 0.8032 0.8082 0.8132 0.8182 0.8232 0.8282</DataList><Accuracy type="estimated" relative="false"><ErrorValue>0.1</ErrorValue></Accuracy></X><Y units="1/s"><Description>Ion Yield</Description><DataList count='200'>2469.37768 2804.58732 3441.48564 4067.2103 4949.92902 5843.82139 6732.12694 7955.64213 8732.21113 10508.82222 11916.70271 13520.12216 15738.09261 16771.65567 18447.70387 20654.50067 20945.01569 22699.27947 24302.69892 26392.17234 28353.14874 31582.33494 35778.04227 41191.67796 50041.21246 62566.87935 80779.93647 108792.28874 145436.28924 174102.30031 199583.81979 216271.67305 228009.59729 236942.9342 241797.88715 237685.98223 229858.83713 217947.72125 203863.32953 192036.01606 179515.936 167057.31104 160822.41173 154855.68013 149095.66115 144380.37887 141760.15685 140162.32424 139810.35411 136530.88647 130932.88547 124429.81845 115239.48748 109300.69002 101456.78444 92065.32769 83746.54178 74170.71973 66399.4429 59857.26809 53728.5185 51152.9911 48225.49357 44778.42111 42498.99555 42549.277 39923.46815 40219.57 38504.41401 38124.50975 38604.9769 37482.02461 37504.37191 36951.27601 36722.21609 36811.60532 37604.93481 37046.25207 37571.41384 35805.9764 36124.42556 36766.91071 36945.68918 36219.40163 36185.88066 36303.20404 35934.47343 35465.17994 35308.74877 35280.81463 34694.19776 34414.8564 33029.32322 32370.07759 30219.14907 29822.48433 27543.05877 27297.23837 25665.88479 24593.21394 23464.67482 22615.47706 22805.42919 21766.27931 20833.27914 18637.656 18386.24877 17559.39832 17302.40426 17095.69165 15950.39205 15928.04474 15062.0865 14391.66722 13626.27188 13559.22995 12849.70288 12413.93034 12117.82849 11536.79845 11084.26544 10788.16359 10184.78624 9626.1035 9693.14543 8950.09739 8888.64229 8843.94767 8547.84583 8039.44454 7726.58221 6933.25273 7508.69594 7084.09706 6514.24068 6463.95923 6603.62991 5877.34236 5799.12678 5240.44404 5050.49191 5011.38412 5089.5997 4324.20436 4290.68339 3687.30604 3441.48564 3374.44371 3111.86283 2860.4556 2771.06636 2502.89865 2771.06636 2055.95246 2072.71294 1514.03021 1614.5931 1815.71888 1525.20386 1564.31165 1357.59904 1245.8625 1184.4074 1240.27567 1011.21575 1184.4074 972.10796 882.71872 787.74265 743.04804 854.78458 709.52707 698.35342 720.70073 681.59294 731.87438 608.96418 676.00611 620.13783 648.07197 530.7486 670.41928 625.72466 474.88032 569.85639 592.2037 648.07197 525.16177 486.05398 446.94619 553.09591 525.16177 458.11984 402.25157 486.05398 296.10185 508.40129 452.53301 407.8384 441.35936</DataList><Accuracy type="statistical" relative="false"><ErrorList count='200'>49.69 52.96 58.66 63.77 70.36 76.44 82.05 89.19 93.45 102.51 109.16 116.28 125.45 129.51 135.82 143.72 144.72 150.66 155.89 162.46 168.38 177.71 189.15 202.96 223.70 250.13 284.22 329.84 381.36 417.26 446.75 465.05 477.50 486.77 491.73 487.53 479.44 466.85 451.51 438.22 423.69 408.73 401.03 393.52 386.13 379.97 376.51 374.38 373.91 369.50 361.85 352.75 339.47 330.61 318.52 303.42 289.39 272.34 257.68 244.66 231.79 226.17 219.60 211.61 206.15 206.27 199.81 200.55 196.23 195.25 196.48 193.60 193.66 192.23 191.63 191.86 193.92 192.47 193.83 189.22 190.06 191.75 192.21 190.31 190.23 190.53 189.56 188.32 187.91 187.83 186.26 185.51 181.74 179.92 173.84 172.69 165.96 165.22 160.21 156.82 153.18 150.38 151.01 147.53 144.34 136.52 135.60 132.51 131.54 130.75 126.29 126.21 122.73 119.97 116.73 116.44 113.36 111.42 110.08 107.41 105.28 103.87 100.92 98.11 98.45 94.60 94.28 94.04 92.45 89.66 87.90 83.27 86.65 84.17 80.71 80.40 81.26 76.66 76.15 72.39 71.07 70.79 71.34 65.76 65.50 60.72 58.66 58.09 55.78 53.48 52.64 50.03 52.64 45.34 45.53 38.91 40.18 42.61 39.05 39.55 36.85 35.30 34.42 35.22 31.80 34.42 31.18 29.71 28.07 27.26 29.24 26.64 26.43 26.85 26.11 27.05 24.68 26.00 24.90 25.46 23.04 25.89 25.01 21.79 23.87 24.34 25.46 22.92 22.05 21.14 23.52 22.92 21.40 20.06 22.05 17.21 22.55 21.27 20.20 21.01</ErrorList></Accuracy></Y><ProductionDate>2008-11-01</ProductionDate></TabulatedData></DataSet></DataSets></CollisionalTransition></Collisions></Processes>
</XSAMSData>
