Ojima:KOX00469p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Norleucine

IDs and Links
MassBank	Norleucine
CAS	327-57-1
Keio ID	N014+

Top 10 Similar Molecules of Norleucine

Ranking	About scoring
L057+ Score:16.66 L003+ Score:16.66 A053+ Score:16.66 N014+ Score:13.39 I008+ Score:13.39 G071+ Score:13.39 A145+ Score:13.39 E015+ Score:11.53 P034+ Score:8.26 C032+ Score:8.26	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 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 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+   Pages Related to Peak C3H5:   I064+  P042+   Pages Related to Peak CH4N:   G011+  D103+

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。

KOX00469p	132 C6H14NO2	86 C5H12N	69 C5H9	55 C4H7	41 C3H5	30 CH4N
132 C6H14NO2
86 C5H12N	CH2O2
69 C5H9	CH5NO2	H3N
55 C4H7	C2H7NO2	CH5N	CH2
41 C3H5	C3H9NO2	C2H7N	C2H4	CH2
30 CH4N	C5H10O2	C4H8

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