Ojima:KOX00397n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Leu-Leu-Tyr

IDs and Links
MassBank	Leu-Leu-Tyr
CAS	20368-24-5
Keio ID	L007-

Top 10 Similar Molecules of Leu-Leu-Tyr

Ranking	About scoring
H050+ Score:6.64 I050+ Score:6.23 C063+ Score:6.23 L027+ Score:5.94 E005+ Score:5.94 A127+ Score:5.94 S041+ Score:5.03 P079+ Score:5.03 N063+ Score:5.03 K005+ Score:5.03	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 C9H10NO3:   H050+   Pages Related to Peak C9H7O3:   C063+  I050+   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+   Pages Related to Peak C6H5O:   D128+  H027+  T003+  A114+  C047+  K005+  N063+  P079+  S041+   Pages Related to Peak C5H8N:   A135+  A140+  H064+  P067+  A069+  A080+  A197+  C043+  H045+  M024+  N016+  P054+  S040+  T024+  T061+  D030+  M022+

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。

KOX00397n	406 C21H32N3O5	362 C20H32N3O3	300 C14H26N3O4	293 C15H21N2O4	242 C12H24N3O2	180 C9H10NO3	163 C9H7O3	129 C6H13N2O	119 C8H7O	93 C6H5O	82 C5H8N
406 C21H32N3O5
362 C20H32N3O3	CO2
300 C14H26N3O4	C7H6O
293 C15H21N2O4	C6H11NO
242 C12H24N3O2	C9H8O3	C8H8O	C2H2O2
180 C9H10NO3	C12H22N2O2	C11H22N2	C5H16N2O	C6H11NO
163 C9H7O3	C12H25N3O2	C11H25N3	C5H19N3O	C6H14N2O		H3N
129 C6H13N2O	C15H19NO4	C14H19NO2	C8H13NO3	C9H8O3	C6H11NO
119 C8H7O	C13H25N3O4	C12H25N3O2	C6H19N3O3	C7H14N2O3	C4H17N3O	CH3NO2	CO2
93 C6H5O	C15H27N3O4	C14H27N3O2	C8H21N3O3	C9H16N2O3	C6H19N3O	C3H5NO2	C3H2O2	H8N2	C2H2
82 C5H8N	C16H24N2O5	C15H24N2O3	C9H18N2O4	C10H13NO4	C7H16N2O2	C4H2O3		CH5NO

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