Ojima:KOX00121n

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Bestatin

IDs and Links
MassBank	Bestatin
CAS	58970-76-6
Keio ID	B018-

Top 10 Similar Molecules of Bestatin

Ranking	About scoring
B018+ Score:21.35 O009+ Score:12.17 E033+ Score:9.5 M167+ Score:8.99 T041+ Score:6.23 V021+ Score:5.72 B026+ Score:5.72 A143+ Score:5.72 A103+ Score:5.72 M078+ Score:5.72	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 C15H23N2O2:   B018+   Pages Related to Peak C8H14NO4:   O009+   Pages Related to Peak C9H10NO:   E033+  T041+   Pages Related to Peak C7H14NO2:   B018+  A103+  A143+  B026+   Pages Related to Peak C9H9O:   B018+  M078+  M167+  V021+   Pages Related to Peak C6H12NO2:   A050+  A127+  A174+  D064+  H073+  L004+  P048+  D106+   Pages Related to Peak C6H12NO:   A053+  O009+  A051+  A112+  T022+   Pages Related to Peak C7H7:   A067+  B015+  B018+  B020+  C040+  D046+  E033+  E034+  H027+  H139+  I025+  M040+  M053+  M127+  N018+  P002+  P059+  S013+  T002+  T003+  T054+  Z003+  A061+  A068+  A080+  A137+  A226+  B013+  C172+  D039+  D087+  D122+  D185+  E013+  F016+  G041+  H045+  K004+  L031+  M071+  M101+  M103+  M167+  M169+  M172+  P061+  P070+  P206+  Q001+  S058+  T008+  T024+  T030+  T031+  T032+  T044+  D030+

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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。

KOX00121n	307 C16H23N2O4	263 C15H23N2O2	246 C15H22N2O	188 C8H14NO4	148 C9H10NO	144 C7H14NO2	133 C9H9O	130 C6H12NO2	114 C6H12NO	91 C7H7	57 C2HO2
307 C16H23N2O4
263 C15H23N2O2	CO2
246 C15H22N2O	CHO3	HO
188 C8H14NO4	C8H9N
148 C9H10NO	C7H13NO3	C6H13NO	C6H12N
144 C7H14NO2	C9H9NO2	C8H9N		CO2
133 C9H9O	C7H14N2O3	C6H14N2O	C6H13N2		HN
130 C6H12NO2	C10H11NO2	C9H11N		C2H2O2		CH2
114 C6H12NO	C10H11NO3	C9H11NO	C9H10N	C2H2O3		CH2O		O
91 C7H7	C9H16N2O4	C8H16N2O2	C8H15N2O	CH7NO4	C2H3NO	H7NO2	C2H2O
57 C2HO2	C14H22N2O2	C13H22N2		C6H13NO2		C5H13N		C4H11N

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