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) |
10,800.00 |
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) |
3,400.00 |
AMDIS /
MASSBANK
|
|
2-Propenal |
56.06 |
7847 |
C01471 |
|
|
623 |
43(4.7736) |
152,000.00 |
AMDIS /
MASSBANK
|
|
2-Propanone |
58.08 |
180 |
C00207 |
|
2 probesets |
624 |
57(4.7938) |
2,600.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
625 |
59(5.0101) |
1,000.00 |
AMDIS /
MASSBANK
|
|
Isoprene |
|
|
|
|
|
626 |
41(5.4347) |
1,600.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
627 |
43(5.7455) |
6,400.00 |
AMDIS /
MASSBANK
|
|
2-Methylpropanal |
|
|
|
|
|
628 |
43(5.9738) |
3,500.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
629 |
56(6.8488) |
1,800.00 |
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) |
5,800.00 |
AMDIS /
MASSBANK
|
|
1-Penten-3-ol |
86.13 |
12020 |
|
|
|
631 |
55(7.3232) |
9,200.00 |
AMDIS /
MASSBANK
|
|
1-Penten-3-one |
84.12 |
15394 |
|
|
|
632 |
55(8.5416) |
1,200.00 |
AMDIS /
MASSBANK
|
|
3-Methyl-1-butanol |
88.15 |
31260 |
C07328 |
|
|
633 |
55(9.1301) |
5,700.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Pentenal |
|
|
|
|
|
634 |
70.1(9.429) |
800.00 |
AMDIS /
MASSBANK
|
|
1-Pentanol |
88.15 |
6276 |
C16834 |
|
5 probesets |
635 |
41(10.4065) |
84,800.00 |
AMDIS /
MASSBANK
|
|
(Z) -3-Hexenal |
|
|
|
|
|
636 |
44(10.4885) |
55,200.00 |
AMDIS /
MASSBANK
|
|
hexanal |
100.16 |
6184 |
|
|
|
637 |
208.9(10.8476) |
18,900.00 |
AMDIS /
MASSBANK
|
|
Acetic acid, butyl ester |
|
|
|
|
|
638 |
39(11.9602) |
1,600.00 |
AMDIS /
MASSBANK
|
|
2-Hexyn-1-ol |
98.14 |
69818 |
|
|
|
639 |
58(12.1319) |
600.00 |
AMDIS /
MASSBANK
|
|
Methoxycarbonyl isothiocyanate |
|
|
|
|
|
640 |
39(12.2292) |
48,100.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Hexenal |
98.14 |
5281168 |
C08497 |
|
|
641 |
41.2(12.683) |
400.00 |
AMDIS /
MASSBANK
|
|
1-Hexanol |
102.17 |
8103 |
|
|
|
642 |
41(12.6953) |
1,400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
643 |
39(13.8435) |
1,600.00 |
AMDIS /
MASSBANK
|
|
Heptanal |
|
|
|
|
|
644 |
81.2(14.2056) |
3,300.00 |
AMDIS /
MASSBANK
|
|
(E,E) -2,4-Hexadienal |
|
|
|
|
|
645 |
57(15.1053) |
500.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
646 |
57(15.7409) |
2,400.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Heptenal |
|
|
|
|
|
647 |
55(15.8356) |
13,100.00 |
AMDIS /
MASSBANK
|
|
5-Ethyl-2(5H) -furanone |
|
|
|
|
|
648 |
55(16.3967) |
9,600.00 |
AMDIS /
MASSBANK
|
|
1-Octen-3-one |
126.2 |
61346 |
|
|
|
649 |
70.2(16.4098) |
1,900.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
650 |
57(16.4865) |
39,900.00 |
AMDIS /
MASSBANK
|
|
1-Octen-3-ol |
128.21 |
18827 |
C14272 |
|
|
651 |
43(16.6358) |
11,500.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
652 |
81.1(16.8704) |
2,200.00 |
AMDIS /
MASSBANK
|
|
2-Pentylfuran |
138.21 |
19602 |
|
|
|
653 |
81.2(17.0963) |
400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
654 |
41.2(17.3002) |
1,900.00 |
AMDIS /
MASSBANK
|
|
Octanal |
|
|
|
|
|
655 |
67.2(17.4173) |
1,400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
656 |
81.1(17.6014) |
900.00 |
AMDIS /
MASSBANK
|
|
(E,E) -2,4-Heptadienal |
|
|
|
|
|
657 |
121.1(17.892) |
200.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
658 |
69.1(18.0656) |
800.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
659 |
119.1(18.139) |
1,000.00 |
AMDIS /
MASSBANK
|
|
p-Cymene |
|
|
|
|
|
660 |
92.9(18.3084) |
500.00 |
AMDIS /
MASSBANK
|
|
D-Limonene |
136.23 |
440917 |
C06099 |
|
39 probesets |
661 |
83.1(18.3703) |
1,700.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
662 |
82.9(18.7282) |
400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
663 |
57(19.112) |
6,800.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
664 |
39(19.1374) |
4,800.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Octenal |
|
|
|
|
|
665 |
59(19.6369) |
2,500.00 |
AMDIS /
MASSBANK
|
|
cis-Linalool oxide |
|
|
|
|
|
666 |
41(20.4625) |
11,000.00 |
AMDIS /
MASSBANK
|
|
beta-Linalool |
|
|
|
|
|
667 |
41(20.6271) |
52,100.00 |
AMDIS /
MASSBANK
|
|
nonanal |
142.24 |
31289 |
|
|
|
668 |
39.2(21.9956) |
300.00 |
AMDIS /
MASSBANK
|
|
4-Oxoisophorone |
152.19 |
62374 |
|
|
|
669 |
41(22.1602) |
1,100.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
670 |
43.2(22.3708) |
1,300.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Nonenal |
140.22 |
5283335 |
|
|
|
671 |
60(22.3854) |
3,800.00 |
AMDIS /
MASSBANK
|
|
Octanoic Acid |
|
|
|
|
|
672 |
81.2(22.5011) |
500.00 |
AMDIS /
MASSBANK
|
|
2-Nonen-1-ol |
142.24 |
5364941 |
|
|
|
673 |
41(22.6548) |
2,900.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
674 |
71.1(23.2092) |
400.00 |
AMDIS /
MASSBANK
|
|
p-Menth-1-en-4-ol |
|
|
|
|
|
675 |
59(23.6222) |
19,900.00 |
AMDIS /
MASSBANK
|
|
alpha-Terpinol |
|
|
|
|
|
676 |
41(23.7401) |
13,900.00 |
AMDIS /
MASSBANK
|
|
decanal |
156.27 |
8175 |
C12307 |
|
|
677 |
81.1(24.0985) |
600.00 |
AMDIS /
MASSBANK
|
|
(E,E) -2,4-Nonadienal |
|
|
|
|
|
678 |
94.2(24.3128) |
3,000.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
679 |
55(24.8878) |
1,800.00 |
AMDIS /
MASSBANK
|
|
4-Oxononanal |
156.22 |
156288 |
|
|
|
680 |
45(25.3143) |
3,100.00 |
AMDIS /
MASSBANK
|
|
Nonanoic acid |
158.24 |
8158 |
C01601 |
|
|
681 |
41(25.4123) |
7,700.00 |
AMDIS /
MASSBANK
|
|
(E) -2-Decenal |
154.25 |
5283345 |
|
|
|
682 |
81.2(26.3727) |
500.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
683 |
72.1(26.5159) |
5,600.00 |
AMDIS /
MASSBANK
|
|
N,N-Dibutylformamide |
|
|
|
|
|
684 |
84.1(27.6633) |
200.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
685 |
41(27.9948) |
3,700.00 |
AMDIS /
MASSBANK
|
|
decanoic acid |
172.26 |
2969 |
C01571 |
EX522837 EX523010
|
10 probesets |
686 |
41.2(28.263) |
400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
687 |
43(28.4561) |
1,000.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
688 |
70.9(28.6031) |
400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
689 |
41(29.4467) |
1,000.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
690 |
43(30.4291) |
1,000.00 |
AMDIS /
MASSBANK
|
|
cis-Geranylacetone |
194.31 |
1713001 |
|
|
|
691 |
177.1(31.4145) |
600.00 |
AMDIS /
MASSBANK
|
|
beta-Ionone |
|
|
|
|
|
692 |
43(31.7115) |
300.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
693 |
57.2(34.1388) |
100.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
694 |
55.2(36.1152) |
400.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
695 |
43.2(36.4373) |
200.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
696 |
189.1(37.3946) |
700.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
697 |
57(38.3504) |
1,100.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
698 |
92.9(38.6576) |
500.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
699 |
143.1(39.2853) |
1,000.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
700 |
43.2(39.5012) |
300.00 |
AMDIS /
MASSBANK
|
|
6,10,14-Trimethyl-2-pentadecanone |
|
|
|
|
|
701 |
43(39.5139) |
800.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
702 |
227.1(39.7275) |
1,100.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
703 |
270.1(39.8226) |
3,300.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
704 |
157.1(40.7372) |
900.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
705 |
145.1(40.891) |
1,200.00 |
AMDIS /
MASSBANK
|
|
|
|
|
|
|
|
|