Compound Discoverer as a tool for bioprospecting and detection of defense compounds during fungal infection of Spruce wood

Abstract

Our presentation on how we used Compound Discoverer (ver. 2.1) as a tool for detecting defense compounds in fungal infected Spruce wood, held at the "8th International Proteome Discoverer User's Meeting and 4th Compound Discoverer User's Meeting" (December 2019), can be downloaded from here!

Full text

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M>6R6&+RCO+PQ5M>,RR&CC)
OQ

()&(*&+(+, +6
?@7574

()&(*&+(+, +=
C& 95)(954954

+& STU9A95459
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9474
%.7$> @%$:
92
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#7754
9AB

ChemSpider suggestions can be confusing..
Turns out that a-Conidendrin is the same as
(3aR,9R,9aS)-7-hydroxy-9-(4-hydroxy-3-
methoxyphenyl)-6-methoxy-3a,4,9,9a-tetrahydro-1H-
benzo[f][2]benzofuran-3-one !
(..1
#'&A-)#B/::.C..:5!3@:!5:#==5=3=.%

()&(*&+(+, ,C
266.05887
280.07510
295.09775
85.03000 237.07657
171.04538 281.08252
296.10590
311.12949
219.06660
204.04292
159.04529
160.05318 231.06657
172.05325 217.05090
355.11954
173.06096
358.10461C19 H18 O7 [M+e]-1
122.03736C7 H6 O2 [M+e]-1
123.04531C7 H7 O2 [M+e]-1
108.02203C6 H4 O2 [M+e]-1
109.02955C6 H5 O2 [M+e]-1
373.13004C20 H21 O7 [M-H]-1
50 100 150 200 250 300 350 400
m/z
0
5
10
15
20
25
Intensity [counts] (10^6)
171220_pQC_RZ_FMS_ddMS2_INCL_028 (F114) #727, RT=6.449 min, MS2, FTMS (-), (HCD, DDF, 373.1304@(15;30;45), -1) FISh Coverage: 8 Direct, 79 Unmatched, 31 Skipped
 ?5
.
C(I
121.02959
281.08286
151.04034
281.08255
296.10620
171.04541 340.09576
340.09506
231.06654
109.02952
108.02185
108.02206
231.06650
172.05302
109.02945
172.05321 217.05081
373.12927
217.05058
355.11957
355.11887
173.06090
173.06068
50 100 150 200 250 300 350 400
m/z
-500
0
500
Intensity [counts] (10^3)
RAWFILE(top): 171208_pQC_FMSddMS_R2CE1_031 (F33) #734, RT=6.267 min, MS2, FTMS (-), (HCD, DDF, 373.1310@(15;30;45), -1) REFERENCE(bottom): mzVault library, Hydroxymatairesinol, C20 H22 O7, MS2, (-), (373.1306)
4>W4
+74
.
/95
0
)6I

ANW
Healthy HW
Healthy SW-I
Healthy SW-O
HW Inner
HW Outer
RZ Inner
RZ Mid
RZ Outer
SW Inner
SW Outer
Groups
0
5
10
15
20
25
30
35
Area (10^6)
?
ANW
Healthy HW
Healthy SW-I
Healthy SW-O
HW Inner
HW Outer
RZ Inner
RZ Mid
RZ Outer
SW Inner
SW Outer
Groups
0
1
2
3
4
5
6
Area (10^6)
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Healthy SW-I
Healthy SW-O
HW Inner
HW Outer
RZ Inner
RZ Mid
RZ Outer
SW Inner
SW Outer
Groups
0
1
2
3
4
5
6
Area (10^6)
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;; @$
ANW
Healthy HW
Healthy SW-I
Healthy SW-O
HW Inner
HW Outer
RZ Inner
RZ Mid
RZ Outer
SW Inner
SW Outer
Groups
0
100
200
300
400
Area (10^3)
X9?C+=6

()&(*&+(+, ,,
Compound Formula MolW. Max. Area
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7$H ?+C+N)N+(&CN+R, C**)6=,6 $4
?4 ?,(,+C( RR+&C))6) CN=6=*NN Y
;; ?,(,NCC R6(&+C((6 C(()+**N Y
@ ?N(N+CN 6N*&+R6=+ 6R=)C=R Y
H ?+(+**,*+&C6,(6 *C6C=RR Y
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C ?+(,(+,(+&++NNR +6+)+* @7
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$
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74
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!$
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
()&(*&+(+, ,N

19
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