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. 2014 Mar 31;26(3):929–945. doi: 10.1105/tpc.113.122242

Table 1. (Bio)Chemical Conversions for CSPP Network Generation.

Nr Short Con m/z Dif Elua #CSPP P.C.
1 Box β-Oxidation 26.016 1 97
2 Qui Quinate 174.053 1 102
3 Shi Shikimate 156.042 1 103
4 Tar Tartarate 132.006 1 108
5 Cul Coumaryl alcohol 116.063 2 142
6 Mal Malate 116.011 1 144
7 Rhab Deoxyhexose 146.058 1 144 y
8 Col Coniferyl alcohol 162.068 2 150
9 Cat Catechol 136.016 2 151
10 Red Reduction 2.016 1 152 y
11 Van Vanillate 150.032 2 154
12 Syr Syringate 180.042 2 156
13 Phb Hydroxybenzoate 120.021 2 160
14 Caf Caffeate 162.032 2 163
15 Dql Dimethoxyquinol 152.047 2 165
16 Hql Hydroxyquinol 108.021 2 169
17 Cou Coumarate 146.037 2 169
18 Sil Sinapyl alcohol 192.079 2 171
19 Iso Isoprenylation 68.063 2 173
20 Val Vanillyl alcohol 136.052 2 173
21 Fer Ferulate 176.047 2 174
22 Pen Pentose 132.042 1 182 y
23 Pcl Protocatechus alcoholc 122.037 2 183
24 Pbl Hydroxybenzyl alcohol 106.042 2 185
25 Cal Caffeyl alcohol 148.052 2 194 y
26 Syl Syringyl alcohol 166.063 2 213
27 Sin Sinapate 206.058 2 217 y
28 Qul Quinol 92.026 2 225
29 Sun Syringyl 226.084 2 245 y
30 Hyd Hydration 18.011 1 254
31 Gun Guaiacyl 196.074 2 290 y
32 Gly Glycerol 74.037 3 292 y
33 Oxy Oxygenation 15.995 1 318 y
34 Ace Acetylation 42.011 3 328
35 Hex Hexose 162.053 1 341 y
36 Mth Malate_hexosed 46.042 3 346 y
37 Met Methylation 14.016 2 493 y
38 Mox Methoxylatione 30.011 3 532 y

Nr, number; Short, shorthand naming; Con, conversion; m/z Dif, m/z difference; Elu, elution behavior of product peak versus substrate peak; #CSPP, number of CSPPs obtained for the conversion; P.C., prominent conversion (based on peak pair generation); y, yes.

a

Elution behavior: 1, product elutes earlier; 2, product elutes later; 3, not known.

b

Shorthand name is based on rhamnose. When the shorthand name is underlined or italics, > or ≤225 CSPPs were obtained for the conversion, respectively. Conversions written in italics are expected to occur to a lesser extent in Arabidopsis secondary metabolism. Conversions written in bold do not represent a true (bio)chemical conversion but are associated with a structural moiety that is often observed among the profiled metabolites.

c

This conversion can also be the addition of a methoxyquinol.

d

Hydroxycinnamoylmalate and hydroxycinnamoylhexose can be transesterified.

e

Methoxylation is often observed in phenylpropanoid metabolism, yet occurs by a separate oxygenation and methylation enzymatic reaction.