Location:
Metabolite
> Tentative peak list
ID |
Acc. |
Peak Area (x103) |
Spectrum |
Score |
Compound Acc. from Spectrum Library |
Molecular Weight |
PubChem ID |
KEGG Compound Acc. |
Involved Unigenes |
Involved Probesets |
436 |
103.1(9.9095) |
14.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
437 |
60(10.1075) |
41.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
438 |
91(10.3246) |
64.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
439 |
104.1(10.7362) |
51.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
440 |
70.1(10.8047) |
51.00 |
AMDIS /
MASSBANK
|
|
Heptanal |
|
|
|
|
|
441 |
60(11.8858) |
162.00 |
AMDIS /
MASSBANK
|
|
Pentanoic acid |
|
|
|
|
|
442 |
60(12.3701) |
11.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
443 |
81(12.3904) |
65.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
444 |
55(12.6013) |
24.00 |
AMDIS /
MASSBANK
|
|
Cyclohexane |
84.16 |
8078 |
C11249 |
|
|
445 |
69.1(13.0361) |
50.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
446 |
59.9(13.5094) |
37.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
447 |
200.7(14.1022) |
15.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
448 |
200.8(14.111) |
17.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
449 |
57(14.3036) |
33.00 |
AMDIS /
MASSBANK
|
|
nonanal |
142.24 |
31289 |
|
|
|
450 |
60(15.0917) |
61.00 |
AMDIS /
MASSBANK
|
|
Octanoic Acid |
|
|
|
|
|
451 |
109(15.7008) |
10.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
452 |
57.1(15.7632) |
31.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
453 |
55.1(15.9002) |
33.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
454 |
138.9(16.2888) |
11.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
455 |
60.1(16.5804) |
26.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
456 |
55.1(17.1406) |
28.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
457 |
57(17.2369) |
22.00 |
AMDIS /
MASSBANK
|
|
Tridecane |
|
|
|
|
|
458 |
104(17.7029) |
17.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
459 |
60(17.9931) |
121.00 |
AMDIS /
MASSBANK
|
|
n-Decanoic acid |
|
|
|
|
|
460 |
159.1(18.3397) |
23.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
461 |
129.1(18.7561) |
43.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
462 |
57.1(19.397) |
21.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
463 |
177.1(19.8569) |
18.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
464 |
141(19.9003) |
141.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
465 |
74(20.1892) |
23.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
466 |
124.1(20.3194) |
23.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
467 |
60(20.5771) |
171.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
468 |
127.1(20.8002) |
41.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
469 |
55(21.0566) |
43.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
470 |
68.9(21.1923) |
54.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
471 |
355(21.273) |
19.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
472 |
55(21.336) |
97.00 |
AMDIS /
MASSBANK
|
|
Tetradecanal |
|
|
|
|
|
473 |
55.1(22.2096) |
37.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
474 |
58.1(22.2882) |
23.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
475 |
58(22.293) |
22.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
476 |
57.1(22.5073) |
34.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
477 |
74(22.5466) |
39.00 |
AMDIS /
MASSBANK
|
|
Tetradecanoic acid, methyl ester |
|
|
|
|
|
478 |
55(22.8328) |
667.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
479 |
60(22.9047) |
358.00 |
AMDIS /
MASSBANK
|
|
Tetradecanoic Acid, O-TMS |
228.37 |
11005 |
C06424 |
|
5 probesets |
480 |
55.1(23.1014) |
215.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
481 |
69(23.351) |
42.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
482 |
57(23.6148) |
118.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Decenol |
|
|
|
|
|
483 |
74(23.6311) |
50.00 |
AMDIS /
MASSBANK
|
|
Pentadecanoic acid, methyl ester |
|
|
|
|
|
484 |
68(23.7837) |
1,271.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
485 |
58.1(23.8468) |
83.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
486 |
242.2(23.9614) |
15.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
487 |
82(24.0299) |
214.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
488 |
95.1(24.034) |
178.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
489 |
134(24.1737) |
17,225.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
490 |
82(24.2001) |
475.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
491 |
81(24.234) |
555.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
492 |
50.1(24.2422) |
871.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
493 |
58(24.4687) |
83.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
494 |
74(24.6728) |
2,040.00 |
AMDIS /
MASSBANK
|
|
Methyl hexadecanoate |
270.45 |
8181 |
|
|
|
495 |
55(25.0106) |
912.00 |
AMDIS /
MASSBANK
|
|
n-Hexadecanoic acid |
|
|
|
|
|
496 |
149(25.0947) |
74.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
497 |
55(25.3816) |
110.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
498 |
84.9(25.467) |
46.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
499 |
74(25.6508) |
78.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
500 |
55(25.6569) |
142.00 |
AMDIS /
MASSBANK
|
|
Heptadecanoic acid, methyl ester |
284.48 |
15609 |
|
|
|
501 |
155.2(26.0205) |
32.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
502 |
159.1(26.0876) |
16.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
503 |
67(26.3467) |
808.00 |
AMDIS /
MASSBANK
|
|
Methyl 9,12-(Z,Z) -octadecadienoate |
294.47 |
5284421 |
|
|
|
504 |
57.1(26.3555) |
286.00 |
AMDIS /
MASSBANK
|
|
Heneicosane |
|
|
|
|
|
505 |
79(26.4104) |
977.00 |
AMDIS /
MASSBANK
|
|
Methyl (9Z,12Z,15Z) -9,12,15-octadecatrienoate |
|
|
|
|
|
506 |
58.1(26.4369) |
109.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
507 |
84(26.4776) |
80.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
508 |
74(26.5976) |
616.00 |
AMDIS /
MASSBANK
|
|
Methyl Octadecanoate |
298.5 |
8201 |
|
|
|
509 |
81(26.6871) |
431.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
510 |
71(26.7116) |
706.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
511 |
79(26.7407) |
312.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
512 |
84(26.8018) |
111.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
513 |
284.3(26.9082) |
158.00 |
AMDIS /
MASSBANK
|
|
Octadecanoic acid |
284.48 |
5281 |
C01530 |
|
8 probesets |
514 |
59(27.1558) |
26.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
515 |
131(27.2548) |
270.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
516 |
57.1(27.2629) |
163.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
517 |
115(27.2684) |
180.00 |
AMDIS /
MASSBANK
|
|
N-(2-methylpropyl) tetradecanamide |
|
|
|
|
|
518 |
74(27.4996) |
43.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
519 |
96(27.541) |
48.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
520 |
183.1(27.7845) |
400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
521 |
159(27.8455) |
358.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
522 |
267.2(27.9561) |
66.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
523 |
57.1(28.1277) |
336.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
524 |
69(28.1718) |
356.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
525 |
129.1(28.2063) |
1,122.00 |
AMDIS /
MASSBANK
|
|
N-(3-methylbutyl) tetradecanamide |
|
|
|
|
|
526 |
58.1(28.2267) |
91.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
527 |
87(28.3589) |
98.00 |
AMDIS /
MASSBANK
|
|
Eicosanoic acid methyl ester |
|
|
|
|
|
528 |
99.1(28.4702) |
56.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
529 |
69(28.557) |
130.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
530 |
149(28.7496) |
66.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
531 |
71.1(28.8513) |
111.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
532 |
129(28.8818) |
182.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
533 |
131(28.9673) |
127.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
534 |
55(29.0155) |
452.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
535 |
115.1(29.0175) |
1,184.00 |
AMDIS /
MASSBANK
|
|
N-(2-methylpropyl) hexadecanamide |
311.55 |
108624 |
|
|
|
536 |
129(29.0595) |
204.00 |
AMDIS /
MASSBANK
|
|
N-(3-methylbutyl) pentadecanamide |
|
|
|
|
|
537 |
340.2(29.1898) |
7.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
538 |
94.9(29.2569) |
60.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
539 |
109(29.4129) |
63.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
540 |
211.2(29.4298) |
175.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
541 |
159(29.4936) |
196.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
542 |
79(29.6279) |
94.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
543 |
91(29.7201) |
184.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
544 |
142.1(29.9446) |
3,088.00 |
AMDIS /
MASSBANK
|
|
N-(3-methylbutyl) hexadecanamide |
|
|
|
|
|
545 |
74(30.0382) |
188.00 |
AMDIS /
MASSBANK
|
|
Methyl Docosanoate |
354.61 |
13584 |
|
|
|
546 |
149(30.1643) |
282.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
547 |
57.1(30.418) |
300.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
548 |
57.1(30.6472) |
286.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
549 |
131(30.6703) |
89.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
550 |
115.1(30.7585) |
231.00 |
AMDIS /
MASSBANK
|
|
N-(2-methylpropyl) octadecanamide |
339.6 |
10042835 |
|
|
|
551 |
129.1(30.8073) |
173.00 |
AMDIS /
MASSBANK
|
|
N-(3-methylbutyl) heptadecanamide |
|
|
|
|
|
552 |
368.3(30.9165) |
89.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
553 |
334.3(31.0135) |
20.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
554 |
159(31.1511) |
137.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
555 |
159(31.219) |
137.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
556 |
142.1(31.5031) |
100.00 |
AMDIS /
MASSBANK
|
|
N-(3-methylbutyl) -(9Z,12Z)-9,12-octadecadienamide |
349.59 |
|
|
|
|
557 |
57(31.5737) |
1,181.00 |
AMDIS /
MASSBANK
|
|
Heptacosane |
|
|
|
|
|
558 |
129.1(31.7758) |
1,255.00 |
AMDIS /
MASSBANK
|
|
N-(3-methylbutyl) octadecanamide |
|
|
|
|
|
559 |
382.4(31.8741) |
212.00 |
AMDIS /
MASSBANK
|
|
Methyl Tetracosanoate |
|
|
|
|
|
560 |
280.2(31.9209) |
20.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
561 |
71(31.9636) |
404.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
562 |
57.1(32.1854) |
483.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
563 |
183.2(32.4988) |
28.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
564 |
57(32.5937) |
434.00 |
AMDIS /
MASSBANK
|
|
Octacosane |
|
|
|
|
|
565 |
326.2(32.6758) |
11.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
566 |
69.1(32.8494) |
129.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
567 |
396.3(32.9281) |
37.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
568 |
71(33.082) |
63.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
569 |
57.1(33.0868) |
132.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
570 |
159(33.2109) |
116.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
571 |
158.9(33.2163) |
112.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
572 |
159(33.2889) |
116.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
573 |
71(33.5975) |
3,983.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
574 |
57.1(33.7629) |
6,281.00 |
AMDIS /
MASSBANK
|
|
Nonacosane |
408.79 |
12409 |
C08384 |
|
|
575 |
58.1(34.0254) |
72.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
576 |
129.1(34.0647) |
127.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
577 |
71.1(34.1203) |
346.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
578 |
57.1(34.1237) |
709.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
579 |
410.4(34.1529) |
80.00 |
AMDIS /
MASSBANK
|
|
Methyl Hexacosanoate |
|
|
|
|
|
580 |
71.1(34.4466) |
178.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
581 |
57.1(34.452) |
246.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
582 |
104(34.6297) |
155.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
583 |
71.1(34.7525) |
94.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
584 |
57.7(34.8956) |
1.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
585 |
298(35.0265) |
130.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
586 |
57.1(35.0773) |
869.00 |
AMDIS /
MASSBANK
|
|
Triacontane |
422.81 |
12535 |
|
|
|
587 |
390.4(35.7928) |
64.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
588 |
253(36.5117) |
1,135.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
589 |
86.1(36.686) |
1,141.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
590 |
71.1(36.7294) |
24,363.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
591 |
57.1(36.7349) |
33,218.00 |
AMDIS /
MASSBANK
|
|
Hentriacontane |
|
|
|
|
|
592 |
57.1(37.1275) |
372.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
593 |
71.1(37.1323) |
326.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
594 |
57(37.1716) |
368.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
595 |
438.4(37.2239) |
54.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
596 |
57(37.506) |
308.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
597 |
430.3(37.567) |
458.00 |
AMDIS /
MASSBANK
|
|
alpha-Tocopherolacetic acid ester |
|
|
|
|
|
598 |
430.4(37.6098) |
455.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
599 |
328.1(37.7685) |
301.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
600 |
183.1(37.9862) |
50.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
601 |
57(37.9957) |
147.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
602 |
57.1(38.4772) |
832.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
603 |
450.5(38.4874) |
41.00 |
AMDIS /
MASSBANK
|
|
Dotriacontane |
450.87 |
11008 |
|
|
|
604 |
347.3(39.5746) |
64.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
605 |
82.1(39.6024) |
4,644.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
606 |
57.1(39.6044) |
6,719.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
607 |
137.1(39.6173) |
657.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
608 |
57.1(40.7119) |
2,082.00 |
AMDIS /
MASSBANK
|
|
Tritriacontane |
|
|
|
|
|
609 |
55(41.1975) |
3,123.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
610 |
451.5(41.3799) |
104.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
611 |
58(41.3928) |
678.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
612 |
466.4(41.5678) |
151.00 |
AMDIS /
MASSBANK
|
|
Methyl Triacontanoate |
466.82 |
12400 |
|
|
|
613 |
467.4(41.597) |
49.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
614 |
82.1(42.0093) |
316.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
615 |
57(42.0154) |
656.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
616 |
269(42.8781) |
96.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
617 |
269.1(42.8998) |
154.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
618 |
68(44.1498) |
101.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
619 |
57.1(44.9738) |
2,215.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
620 |
446.5(44.9772) |
1,306.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
|