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 |
| 1621 |
429.1(8.6237) |
11.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1622 |
112.2(8.7912) |
8.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1623 |
114.2(8.9377) |
23.33 |
AMDIS /
MASSBANK
|
|
octane |
114.23 |
356 |
C01387 |
|
1 probesets |
| 1624 |
100.1(9.0056) |
3.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1625 |
112.2(9.2009) |
6.67 |
AMDIS /
MASSBANK
|
|
hexanal |
100.16 |
6184 |
|
|
|
| 1626 |
110.2(9.4261) |
13.33 |
AMDIS /
MASSBANK
|
|
1,3-Octadiene |
110.2 |
517653 |
|
|
|
| 1627 |
104.1(10.7486) |
282.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1628 |
119.2(12.7711) |
4.67 |
AMDIS /
MASSBANK
|
|
E,E-2,6-Dimethyl-1,3,5,7-octatetraene |
134.22 |
5368451 |
|
|
|
| 1629 |
121.2(12.9745) |
7.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1630 |
119.1(13.1163) |
10.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1631 |
134.2(13.1407) |
3.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1632 |
129.1(13.2038) |
20.67 |
AMDIS /
MASSBANK
|
|
dl-limonene |
136.23 |
22311 |
C06078 |
|
|
| 1633 |
173.1(13.6521) |
1.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1634 |
111.1(14.1621) |
6.00 |
AMDIS /
MASSBANK
|
|
(E) -4-Nonenal |
140.22 |
5283337 |
|
|
|
| 1635 |
132.1(14.2197) |
2.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1636 |
114.2(14.3439) |
35.67 |
AMDIS /
MASSBANK
|
|
nonanal |
142.24 |
31289 |
|
|
|
| 1637 |
144(15.5233) |
1.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1638 |
125.1(16.5013) |
3.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1639 |
125.1(16.5115) |
4.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1640 |
115.1(16.8391) |
16.33 |
AMDIS /
MASSBANK
|
|
Nonanoic acid |
158.24 |
8158 |
C01601 |
|
|
| 1641 |
158.2(16.8424) |
1.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1642 |
138.2(16.9008) |
5.00 |
AMDIS /
MASSBANK
|
|
decanal |
156.27 |
8175 |
C12307 |
|
|
| 1643 |
215.2(17.9873) |
2.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1644 |
129.1(18.0795) |
53.33 |
AMDIS /
MASSBANK
|
|
decanoic acid |
172.26 |
2969 |
C01571 |
EX524382 EX525491
TCMS40110 |
10 probesets |
| 1645 |
113.1(18.6079) |
37.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1646 |
129.1(18.7666) |
435.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1647 |
113.2(22.667) |
121.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1648 |
129.1(22.9905) |
282.33 |
AMDIS /
MASSBANK
|
|
tetradecanoic acid |
228.37 |
11005 |
C06424 |
EX524382 EX525491
TCMS40110 |
5 probesets |
| 1649 |
242.3(24.0804) |
117.67 |
AMDIS /
MASSBANK
|
|
pentadecanoic acid |
242.4 |
13849 |
C16537 |
|
|
| 1650 |
143.2(24.659) |
689.67 |
AMDIS /
MASSBANK
|
|
Hexadecanoic acid, methyl ester |
270.45 |
8181 |
|
|
|
| 1651 |
256.3(25.1392) |
807.00 |
AMDIS /
MASSBANK
|
|
hexadecanoic acid |
256.42 |
985 |
C00249 |
EX524382 EX525491
TCMS40110 CO512624
CO511788 CO512671
CO517215 EX522106
EX524321 EX525386
|
57 probesets |
| 1652 |
143.2(25.6444) |
68.67 |
AMDIS /
MASSBANK
|
|
Heptadecanoic acid, methyl ester |
284.48 |
15609 |
|
|
|
| 1653 |
313.3(25.7794) |
157.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1654 |
106.1(26.2467) |
952.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1655 |
294.3(26.3355) |
186.67 |
AMDIS /
MASSBANK
|
|
(E,E) -9,12-Octadecadienoic acid, methyl ester |
294.47 |
5362793 |
|
|
|
| 1656 |
264.3(26.3864) |
104.00 |
AMDIS /
MASSBANK
|
|
(Z,Z,Z) -9,12,15-Octadecatrienoic acid, methyl ester |
292.46 |
5319706 |
|
|
|
| 1657 |
298.4(26.5946) |
518.33 |
AMDIS /
MASSBANK
|
|
Octadecanoic acid, methyl ester |
298.5 |
8201 |
C01530 |
EX524382 EX525491
TCMS40110 |
8 probesets |
| 1658 |
284.3(27.0606) |
186.33 |
AMDIS /
MASSBANK
|
|
Octadecanoic acid |
284.48 |
5281 |
C01530 |
EX524382 EX525491
TCMS40110 |
8 probesets |
| 1659 |
248.1(27.1867) |
35,707.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1660 |
312.4(27.4933) |
72.67 |
AMDIS /
MASSBANK
|
|
Nonadecanoic acid, methyl ester |
312.53 |
15610 |
|
|
|
| 1661 |
181.2(27.7917) |
194.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1662 |
129.2(28.2068) |
3,424.00 |
AMDIS /
MASSBANK
|
|
N-(2-methylbutyl) tetradecanamide |
297.52 |
|
|
|
|
| 1663 |
115.2(29.0084) |
3,934.67 |
AMDIS /
MASSBANK
|
|
N-(2-methylpropyl) hexadecanamide |
311.55 |
108624 |
|
|
|
| 1664 |
436.5(29.1346) |
3.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1665 |
340.4(29.178) |
49.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1666 |
506.6(29.2797) |
0.67 |
AMDIS /
MASSBANK
|
|
tetracosane |
338.65 |
12592 |
|
|
|
| 1667 |
507.7(29.294) |
1.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1668 |
506.6(29.3177) |
2.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1669 |
507.7(29.3842) |
0.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1670 |
129.2(29.9111) |
23,147.00 |
AMDIS /
MASSBANK
|
|
N-(2-methylbutyl) hexadecanamide |
325.57 |
10336467 |
|
|
|
| 1671 |
125.2(29.9491) |
1,505.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1672 |
354.4(30.0136) |
398.33 |
AMDIS /
MASSBANK
|
|
Docosanoic acid, methyl ester |
354.61 |
13584 |
|
|
|
| 1673 |
129.2(30.4449) |
3,070.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1674 |
115.1(30.7386) |
553.33 |
AMDIS /
MASSBANK
|
|
N-(2-methylpropyl) octadecanamide |
339.6 |
10042835 |
|
|
|
| 1675 |
129.2(30.7833) |
818.33 |
AMDIS /
MASSBANK
|
|
N-(3-methylbutyl) heptadecanamide |
339.6 |
|
|
|
|
| 1676 |
397.4(30.9115) |
66.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1677 |
280.3(31.098) |
16.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1678 |
142.1(31.4738) |
295.67 |
AMDIS /
MASSBANK
|
|
N-(3-methylbutyl) -(9Z,12Z)-9,12-octadecadienamide |
349.59 |
|
|
|
|
| 1679 |
129.2(31.741) |
2,466.00 |
AMDIS /
MASSBANK
|
|
N-(3-methylbutyl) octadecanamide |
353.63 |
|
|
|
|
| 1680 |
340.3(31.9384) |
45.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1681 |
340.2(32.2158) |
41.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1682 |
414.6(32.5766) |
0.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1683 |
191.2(32.8363) |
1,271.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1684 |
362.5(33.054) |
488.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1685 |
428.6(33.1815) |
0.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1686 |
207.1(33.7987) |
21,876.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1687 |
207.1(33.8109) |
22,002.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1688 |
114.1(35.1382) |
23.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1689 |
191.2(35.3675) |
1,451.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1690 |
207.1(36.8697) |
13,790.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1691 |
438.5(37.1627) |
670.67 |
AMDIS /
MASSBANK
|
|
Octacosanoic acid, methyl ester |
438.77 |
41518 |
|
|
|
| 1692 |
376.4(37.9305) |
5.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1693 |
394.4(38.7138) |
10.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1694 |
125.2(38.7199) |
77.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1695 |
376.4(38.7247) |
8.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1696 |
332.4(38.7287) |
2.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1697 |
534.6(39.8193) |
4.33 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1698 |
113.2(39.8702) |
58.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1699 |
492.5(39.8777) |
2.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1700 |
535.7(39.8939) |
4.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1701 |
218.3(42.7737) |
435.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1702 |
396.5(43.4437) |
5.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1703 |
404.4(43.77) |
5.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1704 |
100.1(43.9572) |
30.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 1705 |
111.1(43.9687) |
262.67 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
|
