Additional file 1 of Deciphering the benefits and intensity levels of primary metabolites from Allium macrostemon Bunge and Allium chinense G. Don
Creators: name: Qin, Zifei
name: Li, Yuan
name: Liu, Dongmei
name: Hua, Yuzhuo
name: Lv, Yuandong
name: Zhang, Xiaojian
name: Fan, Cailian
name: Yang, Jing
Publisher: name: figshare
Year: 2024
Subjects: subject: Biochemistry
subject: Medicine
subject: Cell Biology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: FOS: Biological sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Cancer
subject: Plant Biology

description: Additional file 1: Table S1. The retention times, multiple reaction monitoring parameters, calibration curves, correlation factors, linear ranges, LLOQs, and ULOQs of amino acids and their derivates from the fresh bulbs of AMB and ACGD by UHPLC/QTRAP-MS in positive ion mode. Table S2. The qualitative and quantitative results of amino acid and their derivates in AMB and ACGD by UHPLC/QTRAP-MS. Table S3. The retention times, multiple reaction monitoring parameters, calibration curves, correlation factors, linear ranges, LLOQs, and ULOQs of free fatty acids (FFAs) from the fresh bulbs of AMB and ACGD by GC–MS. Table S4. The qualitative and quantitative results of free fatty acids (FFAs) in AMB and ACGD by GC–MS. Table S5. The retention times, multiple reaction monitoring parameters, calibration curves, correlation factors, linear ranges, LLOQs, and ULOQs of carotenoids from the fresh bulbs of AMB and ACGD by UHPLC/QTRAP-MS in positive ion mode. Table S6. The qualitative and quantitative results of carotenoids in AMB and ACGD by UHPLC/QTRAP-MS. Table S7. The retention times, multiple reaction monitoring parameters, calibration curves, correlation factors, linear ranges, LLOQs, and ULOQs of vitamins from the fresh bulbs of AMB and ACGD by UHPLC/QTRAP-MS in positive ion mode. Table S8. The qualitative and quantitative results of vitamins in AMB and ACGD by UHPLC/QTRAP-MS. Table S9. The retention times, multiple reaction monitoring parameters, calibration curves, correlation factors, linear ranges, LLOQs, and ULOQs of trace elements from the fresh bulbs of AMB and ACGD by UHPLC/QTRAP-MS in positive ion mode. Table S10. The qualitative and quantitative results of trace elements in AMB and ACGD by UHPLC/QTRAP-MS. Fig S1. Multiple reaction monitoring (MRM) chromatograms of free amino acids and their derivatives from fresh AMB and ACGD bulbs by UHPLC/MS–MS in positive (A) and negative (B) ion modes. Fig S2. Total ion chromatograms of free fatty acids and their derivatives from fresh AMB and ACGD bulbs by GC–MS. Fig S3. MRM chromatograms of carotenoids and their derivatives from fresh AMB and ACGD bulbs by UHPLC/MS–MS in positive ion mode. Fig S4. Multiple reaction monitoring (MRM) chromatograms of fat-soluble vitamins (A) and water-soluble vitamins (B) from fresh AMB and ACGD bulbs by UHPLC/MS–MS in positive and negative ion modes. Fig S5. MALDI-TOF MSI and quantitative LC–MS analysis of six amino acids in fresh AMB and ACGD bulbs. (A) L-Tryptophan at m/z 447.1435 ([2M+K]+); (B) L-Arginine at m/z 349.2312 ([2M+H]+); (C) L-Threonine at m/z 277.0802 ([2M+K]+); (D) L-Valine at m/z 273.1217 ([2M+K]+); (E) L-Ornithine at m/z 303.1435 ([2M+K]+); (F) L-Citrulline at m/z 373.1812 ([2M+Na]+); Each row presents the respective ion images, as well as relative quantification (intensity) extracted from the IMS measurements and absolute quantification (μg/g) determined by LC–MS approaches. The scale is 1.0 mm. (* compared with AMB group, * p &lt; 0.05, ** p &lt; 0.01, *** p &lt; 0.001). Fig S6. MALDI-TOF IMS and quantitative LC–MS analysis of several amino acids in fresh AMB and ACGD bulbs. (A) argininosuccinic acid at m/z 291.1305 ([M+H]+); (B) Glutathione Oxidized at m/z 651.1157 ([M+K]+); (C) γ-Glutamate-Cysteine at m/z 273.0521 ([M+Na]+); (D) L-Tryptophyl-L-glutamic acid at m/z 372.0962 ([M+K]+); (E) N'-Formylkynurenine at m/z 259.0695 ([M+Na]+); (F) N-Acetylneuraminic Acid at m/z 332.0958 ([M+Na]+); Each row presents the respective ion images, as well as relative quantification (intensity) extracted from the IMS measurements and absolute quantification (μg/g) determined by LC–MS approaches. The scale is 1.0 mm. (* compared with AMB group, * p &lt; 0.05, ** p &lt; 0.01, *** p &lt; 0.001). Fig S7. MALDI-TOF IMS and quantitative LC–MS analysis of several amino acids in fresh AMB and ACGD bulbs. (A) L-Asparagine Anhydrous at m/z 303.0707 ([2M+K]+); (B) L-Glutamine at m/z 331.1020 ([2M+K]+); (C) L-Glutamic acid at m/z 295.1141 ([2M+H]+); (D) Succinic Acid at m/z 237.0610 ([2M+H]+); (E) γ-Aminobutyric Acid at m/z 348.1537 ([3M+K]+); (F) (5-L-Glutamyl)-L-Amino Acid at m/z 475.1443 ([2M+K]+); Each row presents the respective ion images, as well as relative quantification (intensity) extracted from the IMS measurements and absolute quantification (μg/g) determined by LC–MS approaches. The scale is 1.0 mm. (* compared with AMB group, * p &lt; 0.05, ** p &lt; 0.01, *** p &lt; 0.001). Fig S8. MALDI-TOF IMS and quantitative LC–MS analysis of several fatty acids in fresh AMB and ACGD bulbs. (A) palmitic acid at m/z 295.2039 ([M+K]+); (B) stearic acid at m/z 323.2352 ([M+K]+); (C) arachidic acid (AA) at m/z 351.2665 ([M+K]+); (D) behenic acid at m/z 379.2978 ([M+K]+); (E) lignoceric acid at m/z 407.3291 ([M+K]+); (F) cis-9-octadecenoic acid at m/z 283.2637 ([M+H]+); Each row presents the respective ion images, as well as relative quantification (intensity) extracted from the IMS measurements and absolute quantification (μg/g) determined by LC–MS approaches. The scale is 1.0 mm. (* compared with AMB group, * p &lt; 0.05, ** p &lt; 0.01, *** p &lt; 0.001). Fig S9. MALDI-TOF IMS and quantitative LC–MS analysis of several carotenoids and their derivatives in fresh AMB and ACGD bulbs. (A) violaxanthin dilaurate at m/z 966.7676 ([M+H]+); (B) violaxanthin-myristate-laurate at m/z 1031.7470 ([M+K]+); (C) violaxanthin-myristate-caprate at m/z 965.7598 ([M+H]+); (D) zeaxanthin dimyristate at m/z 1011.8145 ([M+Na]+); Each row presents the respective ion images, as well as relative quantification (intensity) extracted from the IMS measurements and absolute quantification (μg/g) determined by LC–MS approaches. The scale is 1.0 mm. (* compared with AMB group, * p &lt; 0.05, ** p &lt; 0.01, *** p &lt; 0.001). Fig S10. MALDI-TOF IMS and quantitative LC–MS analysis of several water-soluble vitamins in fresh AMB and ACGD bulbs. (A) Vitamin B5 (pantothenic acid) at m/z 477.1851 ([2M+K]+); (B) BDC (pyridoxine) at m/z 377.1115 ([2M+K]+); (C) Vitamin B7 (biotin) at m/z 283.0519 ([M+K]+); (D) Vitamin B9 at m/z 464.1295 ([M+Na]+); (E) 5-MTHFA (5-Methyltetrahydrofolate) at m/z 498.1503 ([M+K]+); Each row presents the respective ion images, as well as relative quantification (intensity) extracted from the IMS measurements and absolute quantification (μg/g) determined by LC–MS approaches. The scale is 1.0 mm. (* compared with AMB group, * p &lt; 0.05, ** p &lt; 0.01, *** p &lt; 0.001). Fig S11. MALDI-TOF IMS and quantitative LC–MS analysis of several fat-soluble vitamins in fresh AMB and ACGD bulbs. (A) Vitamin A at m/z 325.1934 ([M+K]+); (B) Vitamin D2 at m/z 451.2978 ([M+K]+); (C) Vitamin D3 at m/z 439.2978 ([M+K]+); (D) Vitamin E at m/z 431.3889 ([M+H]+); Each row presents the respective ion images, as well as relative quantification (intensity) extracted from the IMS measurements and absolute quantification (μg/g) determined by LC–MS approaches. The scale is 1.0 mm. (* compared with AMB group, * p &lt; 0.05, ** p &lt; 0.01, *** p &lt; 0.001). Fig S12. Comparison of content levels (μg/g) of twenty-one trace elements in fresh AMB and ACGD samples. (* compared with AMB group, * p &lt; 0.05, ** p &lt; 0.01, *** p &lt; 0.001).