Ojima:PR100277p

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
P048+ Score:12.71 L004+ Score:12.71 H073+ Score:12.71 A174+ Score:12.71 A127+ Score:12.71 A050+ Score:12.71 L027+ Score:7.57 C043+ Score:7.57 A170+ Score:7.57 A068+ Score:7.57	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 C11H19N2O5:   R016+   Pages Related to Peak C6H12NO2:   A050+  A127+  A174+  D064+  H073+  L004+  P048+  D106+   Pages Related to Peak C5H10N:   A050+  A127+  A174+  H064+  H073+  L004+  M035+  M159+  P048+  A068+  A069+  A111+  A112+  A143+  A170+  C043+  K004+  L027+  N016+  S003+  S011+  S044+  T122+  D030+   Pages Related to Peak C5H7:   A018+  A050+  A053+  A122+  A127+  A174+  B020+  C119+  D055+  G062+  G065+  H064+  H073+  L004+  M035+  N014+  P014+  P032+  P048+  P055+  Z002+  A061+  A068+  A080+  A170+  C032+  C043+  C114+  D075+  D078+  F016+  G021+  H045+  I063+  K005+  L027+  L031+  M033+  M039+  M169+  O007+  P034+  P054+  S040+  T024+  T061+  V021+

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。

PR100277p	277 C11H21N2O6	259 C11H19N2O5	231 C10H19N2O4	213 C10H17N2O3	195 C10H15N2O2	130 C6H12NO2	84 C5H10N	67 C5H7
277 C11H21N2O6
259 C11H19N2O5	H2O
231 C10H19N2O4	CH2O2	CO
213 C10H17N2O3	CH4O3	CH2O2	H2O
195 C10H15N2O2	CH6O4	CH4O3	H4O2	H2O
130 C6H12NO2	C5H9NO4	C5H7NO3	C4H7NO2	C4H5NO	C4H3N
84 C5H10N	C6H11NO6	C6H9NO5	C5H9NO4	C5H7NO3	C5H5NO2	CH2O2
67 C5H7	C6H14N2O6	C6H12N2O5	C5H12N2O4	C5H10N2O3	C5H8N2O2	CH5NO2	H3N

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