Table 1 Putative annotation of the 30 LC-MS features measured in the leaves of sunflower hybrids and co-localizing with QTLs of interest. All the metabolites were assigned an MSI level 3 (see Methods)
From: Genetic control of abiotic stress-related specialized metabolites in sunflower
LC-MS feature | [M + H]+ m/z | RT (min) | isotopic pattern ion | putative chemical formula for [M + H]+ | putative metabolite name | metabolite ID | metabolite class |
|---|---|---|---|---|---|---|---|
M201T581 | 201.1637 | 9.69 | M0 | C15H21 | 4,5,9,10-dehydroisolongifolene isomer A | CID: 588771 | sesquiterpenes |
M203T379 | 203.1066 | 6.32 | M0 | C13H15O2 | demethoxyencecalin | CID: 177040 | chromenes |
M287T548 | 287.0550 | 9.14 | M0 | C15H11O6 | cyanidin | CID: 128861 | flavonoids |
M289T534 | 289.0706 | 8.89 | M0 | C15H13O6 | pentahydroxychalcone | CID: 129636553 | flavonoids |
M307T374 | 307.1288 | 6.23 | M0 | C15H19O5N2 | brachystemidine A | CID: 10892118 | pyrroles |
M349T519 | 349.0917 | 8.64 | M0 | C17H17O8 | hexahydroxydimethylflavanone | – | flavonoids |
M131T321 | 131.0490 | 5.36 | M0 | C9H7O | 2-nonene-4,6,8-triyn-1-ol | CID: 57449462 | polyacetylenes |
M294T138 | 294.1547 | 2.31 | M0 | C12H24O7N | deoxyfructosyl-leucine | CID: 131752244 | amino acid derivatives |
M145T650 | 145.1011 | 10.83 | M0 | C11H13 | 1,9-undecadiene-5,7-diyne | CID: 15736690 | polyacetylenes |
M151T299 | 151.0754 | 4.99 | M0 | C9H11O2 | coumaryl-alcohol isomer A | CID: 5280535 | cinnamic acids |
M151T342 | 151.0754 | 5.71 | M0 | C9H11O2 | coumaryl-alcohol isomer B | CID: 5280535 | cinnamic acids |
M165T301 | 165.0545 | 5.02 | M0 | C9H9O3 | coumaric acid | CID: 637542 | cinnamic acids |
M173T648 | 173.1324 | 10.80 | M0 | C13H17 | 1,4-tridecadiene-7,9-diyne | CID: 101410972 | polyacetylenes |
M175T609 | 175.0753 | 10.14 | M0 | C11H11O2 | (2E,4E)-5-phenylpenta-2,4-dienoic acid | CID: 1549512 | styrenes |
M201T687 | 201.1637 | 11.45 | M0 | C15H21 | 4,5,9,10-dehydroisolongifolene isomer B | CID: 588771 | sesquiterpenes |
M202T649 | 202.1671 | 10.81 | M1 | C15H21 | 4,5,9,10-dehydroisolongifolene isomer C | CID: 588771 | sesquiterpenes |
M217T336 | 217.1585 | 5.60 | M0 | C15H21O | (3S,9Z)-pentadeca-9,14-dien-4,6-diyn-3-ol | CID: 163193273 | polyacetylenes |
M231T299 | 231.1378 | 4.99 | M0 | C15H19O2 | dehydrocostus lactone isomer A | CID: 73174 | sesquiterpenes |
M231T362 | 231.1378 | 6.03 | M0 | C15H19O2 | dehydrocostus lactone isomer B | CID: 73174 | sesquiterpenes |
M231T604 | 231.1378 | 10.06 | M0 | C15H19O2 | dehydrocostus lactone isomer C | CID: 73174 | sesquiterpenes |
M243T272 | 243.0881 | 4.54 | M0 | C12H11O2N4 | lumichrome | CID: 5326566 | alloxazines |
M247T334 | 247.1327 | 5.57 | M0 | C15H19O3 | annuolide A | CID: 44583825 | sesquiterpenes |
M249T273 | 249.1484 | 4.55 | M0 | C15H21O3 | annuolide E | CID: 131752335 | sesquiterpenes |
M266T572 | 266.1467 | 9.53 | M1 | C15H21O4 | heliannuol F | CID: 10730325 | sesquiterpenes |
M273T341 | 273.1485 | 5.69 | M0 | C17H21O3 | 8-acetoxy-1,9,14-pentadecatriene-4,6-diyn-3-ol | CID: 14037439 | polyacetylenes |
M273T635_2 | 273.2213 | 10.59 | M0 | C19H29O | androst-5-en-4-one | CID: 22213540 | steroids |
M299T342 | 299.1278 | 5.70 | M0 | C18H19O4 | 3-phenyl-1-(2,3,4-trimethoxyphenyl)prop-2-en-1-one | CID: 67199147 | flavonoids |
M346T682 | 346.1001 | 11.37 | M1 | C18H17O7 | tambulin | CID: 5281700 | flavonoids |
M372T338 | 372.1288 | 5.64 | M0 | C16H22O9N | 4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid glucoside | CID: 10948689 | phenolic compounds |
M515T343 | 515.2122 | 5.72 | M0 | C24H35O12 | eugenol acetylrhamnosylglucoside | – | phenolic compounds |