Addition/Correction pubs.acs.org/JAFC
Correction to Nontargeted Metabolite Profiling in Compatible Pathogen-Inoculated Tobacco (Nicotiana tabacum L. cv. Wisconsin 38) Using UPLC-Q-TOF/MS Kyoungwon Cho, Yuran Kim, Soo Jin Wi, Jong Bok Seo, Joseph Kwon, Joo Hee Chung, Ky Young Park, and Myung Hee Nam* J. Agric. Food Chem. 2012, 60 (44), 11015−11028. DOI: 10.1021/jf303702j Several values in Table 2 (highlighted by boldface type in the “adduct” column for masses 146.0589, 312.1227, 625.2560, 805.3303, and 891.3327) have been revised. Table 2. Relative Levels of Ppn-Responsive Metabolites Accumulated at Early Oxidative Burst (1 h ppi) and Second Burst (48 h ppi) 1 h ppi FC
RT (min)
mass (m/z)
adduct
1. carbohydrates 0.75 133.0127 [M − H]− 2.16 191.0547 [M − H]− 2. amino acids 0.63c 173.1035 [M − H]− 1.13c 180.0658 [M − H]− 1.44 120.0786 [M + H − CH2O2]+ c 1.44 164.0712 [M − H]− 1.45c 166.0857 [M + H]+ 1.70 203.0813 [M − H]− 1.71 188.0695 [M + H − NH3]+ 3. secondary metabolites (phenolic compounds) 1.28 371.0989 [M + H2O − H]− 1.70 146.0589 [M + H]+ c 1.70 159.0918 [M − H]− 2.08 177.0537 [M + H − H2O]+ 2.11 367.1023 [M − H]− 2.49 249.1344 − 2.88 314.1365 [M + H]+ 2.90 312.1227 [M − H]− 3.52 625.2560 [M + H]+ 3.55 623.2374 [M − H]− 4. secondary metabolites (others) 2.87 714.2897 + 2.88 805.3345 + 3.00 645.2932 + 3.01 807.3491 + 3.03 805.3303 − 3.12 893.3543 + 3.13 891.3327 − 5.48 497.2361 [M + H − 246]+ 9.23 503.1093 [M + H]+ 5. lysophospholipids 4.66 593.2735 [M − H]− 5.12 595.2871 [M − H]− 6.15 555.2840 [M − H]− 4.67 518.3246 [M + H]+
log2a
48 h ppi
p valueb
log2
p value
1.07 1.66
0.0003 0.0082
−0.12 0.07
0.6807 0.8909
arginine tyrosine phenylalanine phenylalanine phenylalanine tryptophan tryptophan
1.18 −0.68 −0.70 −0.66 −0.77 −1.09 −0.88
0.0097 0.2305 0.0481 0.1008 0.0252 0.0866 0.0860
−0.71 1.75 1.56 1.92 1.35 1.51 1.42
0.0604 0.0239 0.0115 0.0294 0.0395 0.0300 0.0038
caffeoylquinic acid indole-3-carboxyaldehyde tryptamine ferulic acid feruloylquinic acid caffeic acid-conjugated compound feruloyltyramine feruloyltyramine grossamide grossamide
−1.14 −0.80 −0.99 1.28 1.65 −0.62 −1.02 −0.06 NDd NDd
0.0021 0.1184 0.0973 0.0085 0.0024 0.0090 0.0010 0.8772 NDd NDd
−0.71 1.42 1.53 −0.38 −0.01 1.28 4.75 5.54 4.26 5.42
0.0420 0.0052 0.0280 0.2498 0.9674 0.0207 0.0146 0.0214 0.0228 0.0268
hexose-conjugated compound hexose-conjugated compound fragment ion of m/z 807.3491 hexose-conjugated compound identical with m/z 807.3491 in ESI+ malonylhexose-conjugated compound identical with m/z 893.3543 in ESI+ loroglossin dimer of sulfamethoxazole
−1.47 −1.38 −0.71 −0.85 −0.88 −1.22 −1.24 −2.82 0.65
0.0201 0.0147 0.1130 0.0826 0.0521 0.1142 0.0885 0.0017 0.1763
1.38 1.23 1.60 1.52 1.28 1.81 1.65 −1.16 1.31
0.0084 0.0138 0.0074 0.0132 0.0183 0.0264 0.0296 0.0289 0.0121
1.49 2.53 1.70 1.89
0.0191 0.0322 0.0172 0.0021
1.97 3.93 3.47 1.94
0.0237 0.0335 0.0174 0.0310
tentative identification malic acid quinic acid
lysoPI (18:3) lysoPI (18:2) lysoPI (P-16:0) lysoPC (18:3)
Published: November 13, 2012 © 2012 American Chemical Society
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dx.doi.org/10.1021/jf304735b | J. Agric. Food Chem. 2012, 60, 11647−11648
Journal of Agricultural and Food Chemistry
Addition/Correction
Table 2. continued 1 h ppi FC
RT (min)
mass (m/z)
4.70 5.00 5.01 5.01 5.45 5.27 5.88 5.94 6.31 6. phospholipids 7.02 7.25 7.28 8.00 8.71 8.75 7.30 7.79 8.80 7. free fatty acids 4.58 4.89c 5.11c 5.26c 5.69 6.56 6.87c 7.66c 8. galactolipids 4.74 5.21 5.21 8.67 8.67 9.89
562.3159 520.3406 504.3081 564.3298 452.2784 431.2206 433.2352 481.2568 483.2720
[M [M [M [M [M [M [M [M [M
+ FA − H]− + H]+ + FA − 60 − H]− + FA − H]− − H]− − H]− − H]− − H]− − H]−
adduct
lysoPC (18:3) lysoPC (18:2) lysoPC (18:2) lysoPC (18:2) lysoPE (16:0) lysoPA (18:3) lysoPA (18:2) lysoPG (16:1) lysoPG (16:0)
746.4747 826.5286 870.5166 872.5290 804.5444 848.5261 782.4615 634.4088 760.4773
[M [M [M [M [M [M [M [M [M
− H]− + H]+ + FA − H]− + FA − H]− + H]+ + FA − H]− − H]− − H]− − H]−
PC (oxo-11:0/18:2) PC (18:3/18:3 + O3) PC (18:3/18:3 + O3) PC (18:2/18:3 + O3) PC (16:0/18:3 + O3) PC (16:0/18:3 + O3) PE (18:3/18:3 + O3) PE (oxo-11:0/16:0) PE (16:0/18:3 + O3)
318.2996 293.2100 291.1979 295.2268 445.2364 447.2508 277.2175 279.2314
[M [M [M [M [M [M [M [M
+ H]+ − H]− − H]− − H]− − H]− − H]− − H]− − H]−
phytosphingosine hydroxylinolenic acid ketolinolenic acid hydroxylinoleic acid linolenic acid-conjugated lipid linoleic acid-conjugated lipid linolenic acid linoleic acid
721.2969 653.3743 699.3785 1069.6010 1115.6080 797.5392
[M [M [M [M [M [M
+ FA − − H]− + FA − − H]− + FA − + FA −
H]− H]− H]− H]−
tentative identification
DGMG (18:3) DGMG (16:0) DGMG (16:0) TGDG (16:3/18:3) TGDG (16:3/18:3) MGDG (16:0/18:3)
48 h ppi
log2a
b
p value
log2
p value
1.99 2.59 3.22 2.91 1.60 3.43 2.16 2.38 2.97
0.0027 0.0041 0.0098 0.0056 0.0015 0.0002 0.1109 0.0111 0.0149
1.65 2.27 2.07 2.21 1.46 4.10 3.56 2.63 1.85
0.0144 0.0806 0.0392 0.0396 0.0045 0.0083 0.0483 0.0052 0.0431
0.10 −0.16 −0.11 0.54 0.20 0.11 −0.03 0.16 0.32
0.8652 0.4734 0.7091 0.2351 0.4386 0.7257 0.9326 0.5829 0.3440
−1.46 −1.30 −1.31 −1.25 −1.08 −1.63 −1.13 −1.01 −1.02
0.0228 0.0018 0.0011 0.0004 0.0006 0.0002 0.0017 0.0138 0.0091
0.85 2.16 1.34 1.01 1.55 2.22 1.93 1.75
0.0002 0.0595 0.0920 0.0334 0.0138 0.0526 0.0096 0.0205
1.24 2.34 1.72 1.32 2.63 4.07 1.40 1.71
0.0425 0.0318 0.0361 0.0545 0.0257 0.0435 0.0025 0.0049
0.60 1.44 1.45 −2.73 −2.74 1.20
0.3714 0.0102 0.0148 0.0248 0.0236 0.0129
−1.82 1.57 1.52 −2.51 −1.85 −1.25
0.0000 0.0089 0.0139 0.0220 0.0207 0.0304
a Log2 means log2[ratio of average peak intensity in pathogen-inoculated samples to that in controls]. bp value is calculated by independent twosample’s t test between Ppn-inoculated samples and their corresponding controls. cIdentification based on accurate mass value and retention time of standantds, +, ESI+ mode, −, ESI− mode. dND, not detected.
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