Ojima:PR100579n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Leucylleucyltyrosine

IDs and Links
MassBank	Leucylleucyltyrosine
CAS	20368-24-5
Keio ID

Top 10 Similar Molecules of Leucylleucyltyrosine

Ranking	About scoring
H050+ Score:6.63 L027+ Score:5.94 E005+ Score:5.94 A127+ Score:5.94 V021+ Score:4.56 T044+ Score:4.56 T041+ Score:4.56 T032+ Score:4.56 S058+ Score:4.56 Q001+ Score:4.56	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 C9H10NO3:   H050+   Pages Related to Peak C6H13N2O:   A127+  E005+  L027+   Pages Related to Peak C8H7O:   D046+  E033+  L007+  T002+  A137+  A226+  D185+  E013+  P070+  Q001+  S058+  T032+  T041+  T044+  V021+

Annotations

Precursor	Product	Comments
(0)	(0)	KOX00397

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。

PR100579n	406 C21H32N3O5	362 C20H32N3O3	242 C12H24N3O2	225 C12H21N2O2	180 C9H10NO3	129 C6H13N2O	119 C8H7O
406 C21H32N3O5
362 C20H32N3O3	CO2
242 C12H24N3O2	C9H8O3	C8H8O
225 C12H21N2O2	C9H11NO3	C8H11NO	H3N
180 C9H10NO3	C12H22N2O2	C11H22N2
129 C6H13N2O	C15H19NO4	C14H19NO2	C6H11NO	C6H8O
119 C8H7O	C13H25N3O4	C12H25N3O2	C4H17N3O	C4H14N2O	CH3NO2

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