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. 2022 Jun 17;12:10250. doi: 10.1038/s41598-022-14391-8

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© The Author(s) 2022

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/.

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LC-TOF-(negative mode) MS/MS analysis of the DCM (A) and butanol (B) fractions of sugarcane leave extracts. (C) Exemplar tentative identification of p-coumaric acid (4-hydroxycinnamic acid) from the butanol fraction via MS-Dial tool. Comparison of CID MS/MS spectrum of p-coumaric acid (25 V) with that of reference spectrum in the library. (D) Tentative identification of tricin-7-O-eohesperoside from the butanol fraction via a combination of MS-Dial tool and local sugarcane compound database. CID-MS/MS spectrum (40 V) of mass 637.1784 indicating a major fragment ion at m/z 329.0676 through the loss of rhamnose and glucose. Initial loss of rhamnose (− 146) was also observed on the positive CID-MS/MS (15 V) spectrum (Supplementary Fig. S5) in agreement with data in literature³⁸.