Ojima:KOX00773p

総索引

分子リスト KOX PR PBX COX

イオン統計

前駆-生成イオン統計

中性脱離分子統計

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b-Leucine

IDs and Links
MassBank	b-Leucine
CAS
Keio ID	L057+

Top 10 Similar Molecules of b-Leucine

Ranking	About scoring
L057+ Score:33.32 A053+ Score:29.24 L003+ Score:23.99 N014+ Score:14.78 S013+ Score:12.92 O005+ Score:12.59 I063+ Score:11.45 E015+ Score:11.45 I008+ Score:9.24 G071+ Score:9.24	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 C6H14NO2:   A053+  A145+  G071+  I008+  L003+  N014+  L057+  T022+   Pages Related to Peak C6H11O2:   A053+  L003+  N014+  S013+  L057+   Pages Related to Peak C6H9O:   A053+  L003+  L057+   Pages Related to Peak C4H9O:   A053+  G037+  M003+  O003+  Z002+  L057+  O005+   Pages Related to Peak C4H10N:   A032+  A039+  A135+  A189+  E015+  N009+  O009+  V001+  A051+  A069+  A104+  A111+  A112+  B001+  B026+  I063+  L057+  O005+  O016+  P105+  P190+  P192+  S003+  S011+  H024+   Pages Related to Peak C5H9:   A053+  A138+  A145+  E015+  F025+  F034+  G071+  I008+  L003+  N014+  P067+  S013+  T112+  A061+  B090+  C032+  D178+  I063+  L057+  P034+  P206+  P209+  T108+  A155+   Pages Related to Peak C4H7:   A053+  A135+  A189+  A196+  B020+  E015+  G003+  G032+  G050+  H064+  H073+  I015+  I022+  L003+  L004+  M035+  M078+  N009+  N018+  O009+  P048+  S013+  V001+  Z002+  A051+  A061+  A112+  A203+  A225+  B001+  B010+  B026+  B090+  C114+  D078+  D082+  D183+  E008+  F016+  G021+  H097+  I039+  I063+  L027+  L031+  L057+  M011+  M039+  M110+  M115+  O005+  P035+  P054+  P206+  S003+  V020+  D030+

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。

KOX00773p	132 C6H14NO2	115 C6H11O2	97 C6H9O	73 C4H9O	72 C4H10N	69 C5H9	55 C4H7
132 C6H14NO2
115 C6H11O2	H3N
97 C6H9O	H5NO	H2O
73 C4H9O	C2H5NO	C2H2O	C2
72 C4H10N	C2H4O2
69 C5H9	CH5NO2	CH2O2	CO
55 C4H7	C2H7NO2	C2H4O2	C2H2O	H2O	H3N	CH2

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