Ojima:KOX00398p

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
L007+ Score:52.21 T002+ Score:17.71 P074+ Score:7.95 B040+ Score:7.95 I008+ Score:7.95 L016+ Score:6.63 T032+ Score:5.25 K004+ Score:5.25 C043+ Score:5.25 A226+ Score:5.25	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 C21H34N3O5:   L007+   Pages Related to Peak C15H23N2O4:   L007+   Pages Related to Peak C12H23N2O2:   L007+   Pages Related to Peak C11H23N2O:   L007+   Pages Related to Peak C9H12NO3:   L007+  T002+   Pages Related to Peak C9H9O3:   L007+  T002+   Pages Related to Peak C8H5O3:   L016+   Pages Related to Peak C8H10NO:   A130+  L007+  T002+  A226+  C043+  K004+  T032+   Pages Related to Peak C5H12N:   A053+  A145+  B018+  E015+  G071+  I008+  L003+  L006+  L007+  N014+  P032+  P122+  T112+  A060+  B040+  C032+  C044+  G069+  L034+  L057+  P034+  P074+  P192+   Pages Related to Peak C4H8N:   A032+  A039+  A110+  C013+  G037+  G117+  I008+  L007+  M067+  O003+  O009+  P003+  P055+  Z003+  A036+  A069+  A103+  A112+  B026+  B040+  D033+  G021+  H003+  H097+  O005+  P046+  P054+  P074+  P105+  T021+  T022+  T122+  N044+

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。

KOX00398p	408 C21H34N3O5	295 C15H23N2O4	227 C12H23N2O2	199 C11H23N2O	182 C9H12NO3	165 C9H9O3	149 C8H5O3	136 C8H10NO	86 C5H12N	70 C4H8N
408 C21H34N3O5
295 C15H23N2O4	C6H11NO
227 C12H23N2O2	C9H11NO3	C3O2
199 C11H23N2O	C10H11NO4	C4O3	CO
182 C9H12NO3	C12H22N2O2	C6H11NO
165 C9H9O3	C12H25N3O2	C6H14N2O			H3N
149 C8H5O3	C13H29N3O2	C7H18N2O			CH7N	CH4
136 C8H10NO	C13H24N2O4	C7H13NO3	C4H13NO	C3H13N	CH2O2
86 C5H12N	C16H22N2O5	C10H11NO4	C7H11NO2	C6H11NO	C4O3
70 C4H8N	C17H26N2O5	C11H15NO4	C8H15NO2	C7H15NO	C5H4O3			C4H2O	CH4

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