Ojima:KOX00563n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Syringate

IDs and Links
MassBank	Syringate
CAS	530-57-4
Keio ID	S018-

Top 10 Similar Molecules of Syringate

Ranking	About scoring
G062+ Score:12.46 A018+ Score:12.46 N028+ Score:6.63	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 C9H9O5:   A018+  G062+   Pages Related to Peak C8H9O3:   N028+   Pages Related to Peak C7H5O2:   A018+  G062+

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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。

KOX00563n	197 C9H9O5	182 C8H6O5	153 C8H9O3	137 C7H5O3	121 C7H5O2	59 C2H3O2	45 CHO2
197 C9H9O5
182 C8H6O5	CH3
153 C8H9O3	CO2
137 C7H5O3	C2H4O2	CHO2	CH4
121 C7H5O2	C2H4O3	CHO3	CH4O	O
59 C2H3O2	C7H6O3	C6H3O3	C6H6O	C5H2O	C5H2
45 CHO2	C8H8O3	C7H5O3	C7H8O	C6H4O	C6H4	CH2

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