Ojima:KOX00392n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Lys

IDs and Links
MassBank	Lys
CAS	56-87-1
Keio ID	L004-

Top 10 Similar Molecules of Lys

Ranking	About scoring
R016+ Score:9.52 B010+ Score:6.23 L006+ Score:6.23 U011+ Score:5.94 A189+ Score:5.94 A135+ Score:5.94 D030+ Score:5.72 D061+ Score:5.72 H064+ Score:5.72 U006+ Score:3.8	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 C6H13N2O2:   H064+  R016+  D061+  D030+   Pages Related to Peak C5H11N2:   L006+  B010+   Pages Related to Peak C5H7O:   A135+  A189+  U011+   Pages Related to Peak C4H5O:   A002+  A007+  A018+  A037+  A122+  A133+  A191+  G003+  G015+  G032+  G062+  G065+  H013+  M080+  O015+  P067+  P075+  R016+  S049+  T014+  A194+  C043+  D069+  G021+  G046+  G051+  M011+  M024+  M081+  M082+  M110+  P081+  U006+

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。

KOX00392n	145 C6H13N2O2	99 C5H11N2	83 C5H7O	69 C4H5O	45 CHO2
145 C6H13N2O2
99 C5H11N2	CH2O2
83 C5H7O	CH6N2O
69 C4H5O	C2H8N2O		CH2
45 CHO2	C5H12N2

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