Ojima:PR101003n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Sinapoyl malate

IDs and Links
MassBank	Sinapoyl malate
CAS	92344-58-6
Keio ID

Top 10 Similar Molecules of Sinapoyl malate

Ranking	About scoring
T032+ Score:12.47 L016+ Score:6.64 I050+ Score:6.64 M169+ Score:6.23 T002+ Score:6.23 G062+ Score:6.23 A018+ Score:6.23 D083+ Score:5.94 E015+ Score:5.94 A059+ Score:5.94	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 C9H7O2:   T002+  T032+   Pages Related to Peak C7H5O2:   A018+  G062+   Pages Related to Peak C6H5O:   D128+  H027+  T003+  A114+  C047+  K005+  N063+  P079+  S041+   Pages Related to Peak C3H3O2:   A059+  E015+  D083+

Annotations

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。

PR101003n	339 C15H15O9	223 C11H11O5	208 C10H8O5	193 C9H5O5	179 C10H11O3	164 C9H8O3	149 C8H5O3	147 C9H7O2	133 C4H5O5	121 C7H5O2	115 C4H3O4	93 C6H5O	71 C3H3O2
339 C15H15O9
223 C11H11O5	C4H4O4
208 C10H8O5	C5H7O4	CH3
193 C9H5O5	C6H10O4	C2H6	CH3
179 C10H11O3	C5H4O6	CO2
164 C9H8O3	C6H7O6	C2H3O2	CO2		CH3
149 C8H5O3	C7H10O6	C3H6O2	C2H3O2	CO2	C2H6	CH3
147 C9H7O2	C6H8O7	C2H4O3	CHO3		CH4O	HO
133 C4H5O5	C11H10O4	C7H6	C6H3	C5
121 C7H5O2	C8H10O7	C4H6O3	C3H3O3	C2O3	C3H6O	C2H3O	CO	C2H2
115 C4H3O4	C11H12O5	C7H8O	C6H5O	C5H2O					H2O
93 C6H5O	C9H10O8	C5H6O4	C4H3O4	C3O4	C4H6O2	C3H3O2	C2O2	C3H2O		CO
71 C3H3O2	C12H12O7	C8H8O3	C7H5O3	C6H2O3	C7H8O	C6H5O	C5H2O	C6H4	CH2O3	C4H2	CO2

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