Table 5.
Pearson correlation coefficient between 435 metabolic variables (m/z) and 15 phenotypic traits based on 12 ecotypes of B. distachyon, B. stacei and B. hybridum. See text and Table S2 for abbreviations of variables
| m/z | LGCL | PGL | H | NNTC | SLL | SLW | IL | NSS | SLA | SLB | NFS | UGL | LL | AL | CL | Putative ionization product | Adduct |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| n103·09 | 0·707 | 0·906* | 0·656 | 0·834 | 0·488 | 0·300 | 0·439 | 0·537 | 0·539 | 0·500 | 0·533 | 0·702 | 0·555 | 0·468 | 0·474 | Hydroxybutyrate | [M-H]1− |
| n135 | 0·784 | 0·936* | 0·601 | 0·807 | 0·553 | 0·279 | 0·384 | 0·436 | 0·427 | 0·405 | 0·462 | 0·637 | 0·553 | 0·432 | 0·487 | Threonate | [M-H]1− |
| n173·09 | 0·578 | 0·900* | 0·618 | 0·878 | 0·347 | 0·107 | 0·394 | 0·597 | 0·520 | 0·481 | 0·581 | 0·641 | 0·505 | 0·506 | 0·450 | Shikimate | [M-H]1− |
| n174·09 | 0·724 | 0·929* | 0·617 | 0·885 | 0·429 | 0·101 | 0·345 | 0·533 | 0·444 | 0·405 | 0·488 | 0·633 | 0·497 | 0·437 | 0·519 | 13C isotope of shikimate | [M-H]1− |
| n191·09 | 0·605 | 0·919* | 0·610 | 0·856 | 0·429 | 0·189 | 0·423 | 0·608 | 0·530 | 0·492 | 0·588 | 0·682 | 0·534 | 0·496 | 0·463 | Quinate | [M-H]1− |
| n192·09 | 0·590 | 0·897* | 0·646 | 0·856 | 0·394 | 0·218 | 0·460 | 0·628 | 0·587 | 0·552 | 0·633 | 0·707 | 0·547 | 0·528 | 0·474 | 13C isotope of quinate | [M-H]1− |
| n222·09 | 0·528 | 0·873 | 0·650 | 0·890* | 0·343 | 0·076 | 0·460 | 0·699 | 0·608 | 0·556 | 0·640 | 0·655 | 0·551 | 0·561 | 0·534 | N-acetyl tyrosine | [M-H]1− |
| n223·09 | 0·762 | 0·911* | 0·638 | 0·819 | 0·583 | 0·316 | 0·481 | 0·596 | 0·463 | 0·447 | 0·548 | 0·672 | 0·546 | 0·430 | 0·571 | Sinapate | [M-H]1− |
| n236·09 | 0·658 | 0·714 | 0·823 | 0·571 | 0·573 | 0·421 | 0·752 | 0·614 | 0·835 | 0·808 | 0·730 | 0·643 | 0·891* | 0·768 | 0·690 | O-phosphohomoserine | [M+K-2H]1− |
| n289·18 | 0·697 | 0·890* | 0·636 | 0·817 | 0·398 | 0·229 | 0·347 | 0·425 | 0·526 | 0·483 | 0·466 | 0·694 | 0·547 | 0·490 | 0·445 | Sedoheptulose 7-phosphate | [M-H]1− |
| n420·18 | 0·472 | 0·632 | 0·811 | 0·571 | 0·539 | 0·661 | 0·866 | 0·780 | 0·874 | 0·876 | 0·891* | 0·760 | 0·756 | 0·700 | 0·630 | β-1,4-mannose-N-acetyl glucosamine | [M+K-2H]1− |
| n588·09 | 0·736 | 0·892* | 0·658 | 0·803 | 0·663 | 0·500 | 0·628 | 0·572 | 0·554 | 0·546 | 0·583 | 0·631 | 0·648 | 0·515 | 0·578 | ADP-glucose | [M-H]1− |
| n819·63 | 0·598 | 0·907* | 0·697 | 0·811 | 0·532 | 0·309 | 0·576 | 0·588 | 0·659 | 0·626 | 0·673 | 0·651 | 0·723 | 0·666 | 0·553 | PG(18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))** | [M-H]1− |
| n89·09 | 0·666 | 0·869 | 0·521 | 0·892* | 0·318 | 0·030 | 0·237 | 0·478 | 0·311 | 0·284 | 0·426 | 0·558 | 0·311 | 0·290 | 0·416 | Oxalate | [M-H]1− |
| p445·27 | −0·576 | −0·751 | −0·607 | −0·534 | −0·320 | −0·352 | −0·480 | −0·519 | −0·778 | −0·764 | −0·601 | −0·904* | −0·749 | −0·723 | −0·580 | Unknown | – |
| p796·63 | 0·413 | 0·582 | 0·687 | 0·409 | 0·625 | 0·537 | 0·834 | 0·581 | 0·806 | 0·788 | 0·735 | 0·470 | 0·897* | 0·768 | 0·536 | PC(16:0/18:2(2Z,4Z))** | [M+K]1+ |
| p815·54 | 0·555 | 0·724 | 0·758 | 0·530 | 0·730 | 0·594 | 0·787 | 0·620 | 0·804 | 0·770 | 0·716 | 0·663 | 0·910* | 0·746 | 0·633 | SQDG(16:0/16:1(11Z))** | [M+Na]1+ |
| p816·54 | 0·548 | 0·747 | 0·708 | 0·493 | 0·699 | 0·593 | 0·790 | 0·664 | 0·820 | 0·803 | 0·765 | 0·724 | 0·913* | 0·758 | 0·607 | PC(18:3(8E,10E,12E)/18:3(8E,10E,12E))** | [M+K]1+ |
| p822·54 | 0·593 | 0·688 | 0·741 | 0·493 | 0·647 | 0·531 | 0·801 | 0·589 | 0·813 | 0·798 | 0·737 | 0·590 | 0·900* | 0·746 | 0·608 | PC(18:0/18:3(9Z,12Z,15Z)/0:0)** | [M+K]1+ |
| p823·54 | 0·690 | 0·692 | 0·840 | 0·585 | 0·668 | 0·478 | 0·772 | 0·563 | 0·809 | 0·776 | 0·682 | 0·591 | 0·904* | 0·745 | 0·764 | PG(18:0/20:3(5Z,8Z,11Z))** | [M+Na]1+ |
*
Bonferroni-corrected significant P values (< 0·05);
**
many possible isomers with this particular accurate mass (see Table S9).