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Common analysis methods such as chromatography-coupled MS and tandem-MS require physical separation or isolation of analytes prior to mass analysis. This work demonstrates that two-dimensional correlation techniques, used widely in optical spectroscopy, can be adapted to MS to identify precursor- and fragment-ion pairs from the direct analysis of a two-component mixture, obviating the need for sequential separation or isolation of analytes. A mathematical framework is presented to threshold correlation-derived metrics to predict whether two mass-spectral signals arose from the same molecular origin. Single-analyte spectra derived from the time-averaged mass spectrum of the mixture with these metrics were identified through the National Institute of Standards and Technology (NIST) MS Search 2.2 software with greater than 90% accuracy. Though presented here for data acquired with direct analysis in real time (DART) mass spectrometry, these methods can be directly applied to other mass-spectral datasets that have a time-dependent signal, including metabolomics, petroleomics, natural organic matter, forensics, and chemical reaction monitoring.<\/jats:p>","DOI":"10.1177\/00037028261470406","type":"journal-article","created":{"date-parts":[[2026,7,7]],"date-time":"2026-07-07T13:24:06Z","timestamp":1783430646000},"page":"1232-1248","update-policy":"https:\/\/doi.org\/10.1177\/sage-journals-update-policy","source":"Crossref","is-referenced-by-count":0,"title":["Precursor\/Fragment Ion Identification from Bulk Analysis of a Mixture through Two-Dimensional Correlation Mass Spectrometry"],"prefix":"10.1177","volume":"80","author":[{"ORCID":"https:\/\/orcid.org\/0009-0005-0796-5133","authenticated-orcid":false,"given":"Elly A.","family":"Breves","sequence":"first","affiliation":[{"name":"Rensselaer Polytechnic Institute"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Garon H.","family":"Lowke","sequence":"additional","affiliation":[{"name":"Rensselaer Polytechnic Institute"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8470-1338","authenticated-orcid":false,"given":"Jacob T.","family":"Shelley","sequence":"additional","affiliation":[{"name":"Rensselaer Polytechnic Institute"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"179","published-online":{"date-parts":[[2026,8,30]]},"reference":[{"key":"e_1_3_2_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.analchem.7b03929"},{"key":"e_1_3_2_3_2","doi-asserted-by":"publisher","DOI":"10.1039\/b923564g"},{"key":"e_1_3_2_4_2","doi-asserted-by":"publisher","DOI":"10.1002\/jssc.202300571"},{"key":"e_1_3_2_5_2","doi-asserted-by":"publisher","DOI":"10.1021\/ac9014935"},{"key":"e_1_3_2_6_2","doi-asserted-by":"publisher","DOI":"10.1007\/s13361-010-0004-9"},{"key":"e_1_3_2_7_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmsacl.2024.08.002"},{"key":"e_1_3_2_8_2","doi-asserted-by":"publisher","DOI":"10.1021\/jasms.3c00089"},{"key":"e_1_3_2_9_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00203a008"},{"key":"e_1_3_2_10_2","doi-asserted-by":"publisher","DOI":"10.1366\/0003702934067694"},{"key":"e_1_3_2_11_2","doi-asserted-by":"publisher","DOI":"10.1366\/0003702904087398"},{"key":"e_1_3_2_12_2","doi-asserted-by":"publisher","DOI":"10.1366\/0003702001950454"},{"key":"e_1_3_2_13_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2016.01.035"},{"key":"e_1_3_2_14_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.saa.2022.121573"},{"key":"e_1_3_2_15_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.saa.2022.121750"},{"key":"e_1_3_2_16_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.saa.2022.121636"},{"key":"e_1_3_2_17_2","doi-asserted-by":"publisher","DOI":"10.1177\/0003702818819880"},{"key":"e_1_3_2_18_2","doi-asserted-by":"publisher","DOI":"10.1177\/00037028231226338"},{"key":"e_1_3_2_19_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.molstruc.2016.01.089"},{"key":"e_1_3_2_20_2","doi-asserted-by":"publisher","DOI":"10.1366\/0003702001950472"},{"key":"e_1_3_2_21_2","doi-asserted-by":"publisher","DOI":"10.1021\/acs.analchem.1c00332"},{"key":"e_1_3_2_22_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1302863"},{"key":"e_1_3_2_23_2","doi-asserted-by":"publisher","DOI":"10.1366\/0003702011954189"},{"key":"e_1_3_2_24_2","doi-asserted-by":"publisher","DOI":"10.1002\/0470012404"},{"key":"e_1_3_2_25_2","doi-asserted-by":"publisher","DOI":"10.1016\/0368-2048(86)85010-1"},{"key":"e_1_3_2_26_2","doi-asserted-by":"publisher","DOI":"10.1080\/00268978700101421"},{"key":"e_1_3_2_27_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.246.4933.1029"},{"key":"e_1_3_2_28_2","doi-asserted-by":"publisher","DOI":"10.1016\/0375-9601(89)90522-7"},{"key":"e_1_3_2_29_2","doi-asserted-by":"publisher","DOI":"10.1016\/0375-9601(91)90145-X"},{"key":"e_1_3_2_30_2","doi-asserted-by":"publisher","DOI":"10.1088\/0953-4075\/25\/4\/002"},{"key":"e_1_3_2_31_2","doi-asserted-by":"publisher","DOI":"10.1016\/0375-9601(93)90659-N"},{"key":"e_1_3_2_32_2","doi-asserted-by":"publisher","DOI":"10.1088\/0953-4075\/27\/23\/019"},{"key":"e_1_3_2_33_2","doi-asserted-by":"publisher","DOI":"10.1088\/0953-4075\/27\/7\/012"},{"key":"e_1_3_2_34_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.54.R2555"},{"key":"e_1_3_2_35_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp970414n"},{"key":"e_1_3_2_36_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.473305"},{"key":"e_1_3_2_37_2","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-9888(199711)32:11<1151::AID-JMS605>3.0.CO;2-1"},{"key":"e_1_3_2_38_2","doi-asserted-by":"publisher","DOI":"10.1016\/S1387-3806(02)00928-4"},{"key":"e_1_3_2_39_2","unstructured":"Owens K.G.. 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