Ojima:PR100700n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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L-saccharopine

IDs and Links
MassBank	L-saccharopine
CAS	997-68-2
Keio ID

Top 10 Similar Molecules of L-saccharopine

Ranking	About scoring
T032+ Score:6.63 D030+ Score:5.72 D061+ Score:5.72 R016+ Score:5.72 H064+ Score:5.72	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 C10H14NO3:   T032+   Pages Related to Peak C6H13N2O2:   H064+  R016+  D061+  D030+

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。

PR100700n	275 C11H19N2O6	257 C11H17N2O5	213 C10H17N2O3	196 C10H14NO3	145 C6H13N2O2
275 C11H19N2O6
257 C11H17N2O5	H2O
213 C10H17N2O3	CH2O3	CO2
196 C10H14NO3	CH5NO3	CH3NO2	H3N
145 C6H13N2O2	C5H6O4	C5H4O3	C4H4O

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