Ojima:PR100259p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Capsaicin

IDs and Links
MassBank	Capsaicin
CAS	404-86-4
Keio ID

Top 10 Similar Molecules of Capsaicin

Ranking	About scoring
P059+ Score:6.23 I050+ Score:6.23 T032+ Score:5.54 M169+ Score:5.54 E013+ Score:5.54 D185+ Score:5.54 D046+ Score:5.54	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。

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Page list for each fragment
Pages Related to Peak C8H9O2:   D046+  D185+  E013+  M169+  T032+   Pages Related to Peak C6H6O:   I050+  P059+

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。

PR100259p	306 C18H28NO3	182 C11H20NO	170 C10H20NO	137 C8H9O2	122 C7H6O2	94 C6H6O
306 C18H28NO3
182 C11H20NO	C7H8O2
170 C10H20NO	C8H8O2	C
137 C8H9O2	C10H19NO
122 C7H6O2	C11H22NO			CH3
94 C6H6O	C12H22NO2	C5H14N	C4H14N	C2H3O	CO

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