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 |
| 621 |
45(4.58) |
3,000.00 |
AMDIS /
MASSBANK
|
|
Ethyl alcohol |
46.07 |
702 |
C00469 |
AF083333 ALFCAD1A
CO511976 CO512490
CO512656 CO512794
CO513877 CO514202
CO515617 CO516989
DQ122797 EX523179
EX523465 EX525049
EX525218 TCMS40150
TCMS40254 CO513127
CO515758 MSU13924
MSU13925 TCMS40509
TCMS40807 X82366
X82367 X82368
X97606 EL610008
EX522583 TCMS41132
|
71 probesets |
| 622 |
56(4.7474) |
1,800.00 |
AMDIS /
MASSBANK
|
|
2-Propenal |
56.06 |
7847 |
C01471 |
|
|
| 623 |
43(4.7736) |
129,500.00 |
AMDIS /
MASSBANK
|
|
2-Propanone |
58.08 |
180 |
C00207 |
|
2 probesets |
| 624 |
57(4.7938) |
600.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 625 |
59(5.0101) |
1,500.00 |
AMDIS /
MASSBANK
|
|
Isoprene |
|
|
|
|
|
| 626 |
41(5.4347) |
1,200.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 627 |
43(5.7455) |
6,700.00 |
AMDIS /
MASSBANK
|
|
2-Methylpropanal |
|
|
|
|
|
| 628 |
43(5.9738) |
15,300.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 629 |
56(6.8488) |
1,100.00 |
AMDIS /
MASSBANK
|
|
1-Butanol |
74.12 |
263 |
C06142 |
CO513255 CO515519
CO515597 DQ122817
DQ122838 EX522158
EX522753 EX522872
EX523100 EX523221
EX523637 EX523918
EX524062 EX524302
EX524998 EX525234
EX525484 EX525486
TCMS40118 TCMS40141
TCMS40251 TCMS40313
TCMS40349 |
17 probesets |
| 630 |
57(7.2652) |
2,900.00 |
AMDIS /
MASSBANK
|
|
1-Penten-3-ol |
86.13 |
12020 |
|
|
|
| 631 |
55(7.3232) |
6,000.00 |
AMDIS /
MASSBANK
|
|
1-Penten-3-one |
84.12 |
15394 |
|
|
|
| 632 |
55(8.5416) |
600.00 |
AMDIS /
MASSBANK
|
|
3-Methyl-1-butanol |
88.15 |
31260 |
C07328 |
|
|
| 633 |
55(9.1301) |
2,700.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Pentenal |
|
|
|
|
|
| 634 |
70.1(9.429) |
500.00 |
AMDIS /
MASSBANK
|
|
1-Pentanol |
88.15 |
6276 |
C16834 |
|
5 probesets |
| 635 |
41(10.4065) |
43,000.00 |
AMDIS /
MASSBANK
|
|
(Z) -3-Hexenal |
|
|
|
|
|
| 636 |
44(10.4885) |
28,500.00 |
AMDIS /
MASSBANK
|
|
hexanal |
100.16 |
6184 |
|
|
|
| 637 |
208.9(10.8476) |
15,800.00 |
AMDIS /
MASSBANK
|
|
Acetic acid, butyl ester |
|
|
|
|
|
| 638 |
39(11.9602) |
1,000.00 |
AMDIS /
MASSBANK
|
|
2-Hexyn-1-ol |
98.14 |
69818 |
|
|
|
| 639 |
58(12.1319) |
300.00 |
AMDIS /
MASSBANK
|
|
Methoxycarbonyl isothiocyanate |
|
|
|
|
|
| 640 |
39(12.2292) |
16,900.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Hexenal |
98.14 |
5281168 |
C08497 |
|
|
| 641 |
41.2(12.683) |
500.00 |
AMDIS /
MASSBANK
|
|
1-Hexanol |
102.17 |
8103 |
|
|
|
| 642 |
41(12.6953) |
1,000.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 643 |
39(13.8435) |
1,500.00 |
AMDIS /
MASSBANK
|
|
Heptanal |
|
|
|
|
|
| 644 |
81.2(14.2056) |
1,400.00 |
AMDIS /
MASSBANK
|
|
(E,E) -2,4-Hexadienal |
|
|
|
|
|
| 645 |
57(15.1053) |
400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 646 |
57(15.7409) |
1,600.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Heptenal |
|
|
|
|
|
| 647 |
55(15.8356) |
6,500.00 |
AMDIS /
MASSBANK
|
|
5-Ethyl-2(5H) -furanone |
|
|
|
|
|
| 648 |
55(16.3967) |
10,000.00 |
AMDIS /
MASSBANK
|
|
1-Octen-3-one |
126.2 |
61346 |
|
|
|
| 649 |
70.2(16.4098) |
1,900.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 650 |
57(16.4865) |
44,100.00 |
AMDIS /
MASSBANK
|
|
1-Octen-3-ol |
128.21 |
18827 |
C14272 |
|
|
| 651 |
43(16.6358) |
12,800.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 652 |
81.1(16.8704) |
700.00 |
AMDIS /
MASSBANK
|
|
2-Pentylfuran |
138.21 |
19602 |
|
|
|
| 653 |
81.2(17.0963) |
400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 654 |
41.2(17.3002) |
1,600.00 |
AMDIS /
MASSBANK
|
|
Octanal |
|
|
|
|
|
| 655 |
67.2(17.4173) |
1,200.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 656 |
81.1(17.6014) |
600.00 |
AMDIS /
MASSBANK
|
|
(E,E) -2,4-Heptadienal |
|
|
|
|
|
| 657 |
121.1(17.892) |
100.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 658 |
69.1(18.0656) |
200.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 659 |
119.1(18.139) |
700.00 |
AMDIS /
MASSBANK
|
|
p-Cymene |
|
|
|
|
|
| 660 |
92.9(18.3084) |
300.00 |
AMDIS /
MASSBANK
|
|
D-Limonene |
136.23 |
440917 |
C06099 |
|
39 probesets |
| 661 |
83.1(18.3703) |
1,000.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 662 |
82.9(18.7282) |
300.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 663 |
57(19.112) |
4,500.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 664 |
39(19.1374) |
3,000.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Octenal |
|
|
|
|
|
| 665 |
59(19.6369) |
1,400.00 |
AMDIS /
MASSBANK
|
|
cis-Linalool oxide |
|
|
|
|
|
| 666 |
41(20.4625) |
9,400.00 |
AMDIS /
MASSBANK
|
|
beta-Linalool |
|
|
|
|
|
| 667 |
41(20.6271) |
43,200.00 |
AMDIS /
MASSBANK
|
|
nonanal |
142.24 |
31289 |
|
|
|
| 668 |
39.2(21.9956) |
200.00 |
AMDIS /
MASSBANK
|
|
4-Oxoisophorone |
152.19 |
62374 |
|
|
|
| 669 |
41(22.1602) |
900.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 670 |
43.2(22.3708) |
1,400.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Nonenal |
140.22 |
5283335 |
|
|
|
| 671 |
60(22.3854) |
6,400.00 |
AMDIS /
MASSBANK
|
|
Octanoic Acid |
|
|
|
|
|
| 672 |
81.2(22.5011) |
500.00 |
AMDIS /
MASSBANK
|
|
2-Nonen-1-ol |
142.24 |
5364941 |
|
|
|
| 673 |
41(22.6548) |
2,300.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 674 |
71.1(23.2092) |
300.00 |
AMDIS /
MASSBANK
|
|
p-Menth-1-en-4-ol |
|
|
|
|
|
| 675 |
59(23.6222) |
17,600.00 |
AMDIS /
MASSBANK
|
|
alpha-Terpinol |
|
|
|
|
|
| 676 |
41(23.7401) |
11,400.00 |
AMDIS /
MASSBANK
|
|
decanal |
156.27 |
8175 |
C12307 |
|
|
| 677 |
81.1(24.0985) |
300.00 |
AMDIS /
MASSBANK
|
|
(E,E) -2,4-Nonadienal |
|
|
|
|
|
| 678 |
94.2(24.3128) |
1,600.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 679 |
55(24.8878) |
800.00 |
AMDIS /
MASSBANK
|
|
4-Oxononanal |
156.22 |
156288 |
|
|
|
| 680 |
45(25.3143) |
1,800.00 |
AMDIS /
MASSBANK
|
|
Nonanoic acid |
158.24 |
8158 |
C01601 |
|
|
| 681 |
41(25.4123) |
4,400.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Decenal |
154.25 |
5283345 |
|
|
|
| 682 |
81.2(26.3727) |
100.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 683 |
72.1(26.5159) |
4,800.00 |
AMDIS /
MASSBANK
|
|
N,N-Dibutylformamide |
|
|
|
|
|
| 684 |
84.1(27.6633) |
100.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 685 |
41(27.9948) |
2,000.00 |
AMDIS /
MASSBANK
|
|
decanoic acid |
172.26 |
2969 |
C01571 |
EX522837 EX523010
|
10 probesets |
| 686 |
41.2(28.263) |
300.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 687 |
43(28.4561) |
900.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 688 |
70.9(28.6031) |
500.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 689 |
41(29.4467) |
1,200.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 690 |
43(30.4291) |
2,200.00 |
AMDIS /
MASSBANK
|
|
cis-Geranylacetone |
194.31 |
1713001 |
|
|
|
| 691 |
177.1(31.4145) |
300.00 |
AMDIS /
MASSBANK
|
|
beta-Ionone |
|
|
|
|
|
| 692 |
43(31.7115) |
600.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 693 |
57.2(34.1388) |
500.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 694 |
55.2(36.1152) |
100.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 695 |
43.2(36.4373) |
200.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 696 |
189.1(37.3946) |
200.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 697 |
57(38.3504) |
600.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 698 |
92.9(38.6576) |
300.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 699 |
143.1(39.2853) |
400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 700 |
43.2(39.5012) |
800.00 |
AMDIS /
MASSBANK
|
|
6,10,14-Trimethyl-2-pentadecanone |
|
|
|
|
|
| 701 |
43(39.5139) |
2,300.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 702 |
227.1(39.7275) |
400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 703 |
270.1(39.8226) |
2,100.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 704 |
157.1(40.7372) |
400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
| 705 |
145.1(40.891) |
1,000.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
|