Ojima:KOX00565n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Sinapate

IDs and Links
MassBank	Sinapate
CAS	530-59-6
Keio ID	S028-

Top 10 Similar Molecules of Sinapate

Ranking	About scoring
L016+ Score:6.64 I050+ Score:6.64 T032+ Score:6.23 M169+ Score:6.23 G062+ Score:6.23 A018+ Score:6.23 S041+ Score:5.03 P079+ Score:5.03 N063+ Score:5.03 K005+ Score:5.03	The similarity score between two molecules is defined as the sum of Shannon entropy of ionic formulas shared by the molecules: $\textstyle - \sum_{p\in shared} \log(\mbox{frequency}(p))$ 代謝物間の類似度スコアは、それらのスペクトルで共有される（アノテートされた）イオン式のシャノン情報量の総和です。

Links

Page list for each fragment
Pages Related to Peak C10H11O3:   M169+  T032+   Pages Related to Peak C9H8O3:   I050+   Pages Related to Peak C8H5O3:   L016+   Pages Related to Peak C7H5O2:   A018+  G062+   Pages Related to Peak C6H5O:   D128+  H027+  T003+  A114+  C047+  K005+  N063+  P079+  S041+

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Precursor-Product Relationship

About the PP Table (行列表示について)
The matrix is viewed columnwise. The topmost precursor ion in bold face produces the product ions beneath it. Each formula in matrix cells corresponds to the neutral loss. Blackout cells indicate products that cannot be derived, and orange cells indicate a structurally plausible link produced by cleaving a single chemical bond (in cases of ring-opening, two bonds).	行列は列方向に見ます。最上段太字の前駆イオン(precursor ion)が直下の生成イオン群(product ions)になると解釈します。 行列要素に書かれている組成式はニュートラルロスです。黒は前駆イオンから生成しえない関係、オレンジは分子構造における共有結合1本の切断（開環の場合は2本）で生じる関係を意味します。

KOX00565n	223 C11H11O5	208 C10H8O5	193 C9H5O5	179 C10H11O3	164 C9H8O3	149 C8H5O3	121 C7H5O2	93 C6H5O	65 C4HO	59 C2H3O2	45 CHO2
223 C11H11O5
208 C10H8O5	CH3
193 C9H5O5	C2H6	CH3
179 C10H11O3	CO2
164 C9H8O3	C2H3O2	CO2		CH3
149 C8H5O3	C3H6O2	C2H3O2	CO2	C2H6	CH3
121 C7H5O2	C4H6O3	C3H3O3	C2O3	C3H6O	C2H3O	CO
93 C6H5O	C5H6O4	C4H3O4	C3O4	C4H6O2	C3H3O2	C2O2	CO
65 C4HO	C7H10O4	C6H7O4	C5H4O4	C6H10O2	C5H7O2	C4H4O2	C3H4O	C2H4
59 C2H3O2	C9H8O3	C8H5O3	C7H2O3	C8H8O	C7H5O	C6H2O	C5H2
45 CHO2	C10H10O3	C9H7O3	C8H4O3	C9H10O	C8H7O	C7H4O	C6H4			CH2

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