Ojima:KOX00464p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Norvaline

IDs and Links
MassBank	Norvaline
CAS	6600-40-4
Keio ID	N009+

Top 10 Similar Molecules of Norvaline

Ranking	About scoring
V001+ Score:12.72 N009+ Score:12.72 A189+ Score:12.72 A135+ Score:12.72 S011+ Score:9.79 H064+ Score:8.65 S003+ Score:7.34 O005+ Score:7.34 L057+ Score:7.34 I063+ Score:7.34	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。

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Page list for each fragment

Pages Related to Peak C5H12NO2:   A135+  A189+  H064+  N009+  V001+  B047+   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 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 C2H4N:   S014+  I046+  S011+  T051+   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。

KOX00464p	118 C5H12NO2	72 C4H10N	55 C4H7	42 C2H4N	30 CH4N
118 C5H12NO2
72 C4H10N	CH2O2
55 C4H7	CH5NO2	H3N
42 C2H4N	C3H8O2	C2H6
30 CH4N	C4H8O2	C3H6		C

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