Ojima:KOX00122p

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:55.07 P002+ Score:19.75 A067+ Score:19.75 T008+ Score:14.82 H045+ Score:14.82 A080+ Score:14.82 C043+ Score:12.17 N016+ Score:11.55 T024+ Score:10.86 L031+ Score:10.86	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 C16H25N2O4:   B018+   Pages Related to Peak C15H23N2O2:   B018+   Pages Related to Peak C8H16NO4:   B018+  C043+   Pages Related to Peak C8H14NO3:   B018+  E015+  C043+   Pages Related to Peak C7H14NO2:   B018+  A103+  A143+  B026+   Pages Related to Peak C8H10N:   A067+  B018+  E033+  P002+  Z003+  A068+  D087+  M111+  N016+  P206+   Pages Related to Peak C8H7:   A067+  B018+  I022+  I025+  I030+  I038+  M040+  M078+  P002+  T054+  A080+  A137+  D039+  D178+  D180+  E007+  G041+  H045+  I067+  M101+  M167+  N016+  P047+  Q008+  S040+  T008+  T030+  T031+   Pages Related to Peak C7H9:   A067+  B018+  G075+  P002+  A061+  A080+  H045+  L031+  T008+  T024+   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+   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 C6H5:   A010+  A043+  A050+  A053+  A067+  A110+  A130+  B007+  B015+  B018+  B020+  D046+  D051+  D166+  E012+  E033+  H029+  H139+  I015+  I019+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  M127+  N018+  P002+  P014+  P033+  P053+  P059+  P113+  S013+  T002+  T003+  T054+  T112+  X004+  A035+  A036+  A054+  A061+  A064+  A080+  B004+  B009+  B011+  B013+  B026+  C172+  D032+  D039+  D061+  D087+  D178+  D180+  D185+  E013+  F016+  G041+  H045+  I063+  I067+  K004+  K005+  L027+  L031+  M039+  M066+  M082+  M101+  M142+  M150+  M167+  M169+  M172+  N016+  N028+  N067+  O007+  P036+  P047+  P054+  P057+  P061+  P079+  Q001+  Q008+  S040+  S041+  S058+  T008+  T024+  T028+  T030+  T031+  T032+  T060+  T126+  D030+  A155+  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。

KOX00122p	309 C16H25N2O4	263 C15H23N2O2	190 C8H16NO4	172 C8H14NO3	144 C7H14NO2	120 C8H10N	103 C8H7	93 C7H9	91 C7H7	86 C5H12N	77 C6H5
309 C16H25N2O4
263 C15H23N2O2	CH2O2
190 C8H16NO4	C8H9N
172 C8H14NO3	C8H11NO		H2O
144 C7H14NO2	C9H11NO2	C8H9N	CH2O2	CO
120 C8H10N	C8H15NO4	C7H13NO2	H6O4	H4O3
103 C8H7	C8H18N2O4	C7H16N2O2	H9NO4	H7NO3		H3N
93 C7H9	C9H16N2O4	C8H14N2O2	CH7NO4	CH5NO3	H5NO2	CHN
91 C7H7	C9H18N2O4	C8H16N2O2	CH9NO4	CH7NO3	H7NO2	CH3N	C	H2
86 C5H12N	C11H13NO4	C10H11NO2	C3H4O4	C3H2O3	C2H2O2
77 C6H5	C10H20N2O4	C9H18N2O2	C2H11NO4	C2H9NO3	CH9NO2	C2H5N	C2H2	CH4	CH2

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