Ojima:PBX00050p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Indole-3-acetyl-L-valine

IDs and Links
MassBank	Indole-3-acetyl-L-valine
CAS
Keio ID

Top 10 Similar Molecules of Indole-3-acetyl-L-valine

[show] Ranking	About scoring
V001+ Score:12.73 N009+ Score:12.73 A189+ Score:12.73 A135+ Score:12.73 H064+ Score:8.65 M078+ Score:7.42 I022+ Score:7.42 S003+ Score:7.34 O005+ Score:7.34 L057+ 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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[show] Page list for each fragment

Pages Related to Peak C9H8N:   E034+  H027+  I022+  I025+  I030+  I038+  M037+  M040+  M053+  M078+  T003+  T054+  A068+  G041+  I067+  M101+  M103+  M172+  N016+  Q008+  S041+  T031+  N044+   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+

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Precursor-Product Relationship

[show] 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。

[hide] PBX00050p	275 C15H19N2O3	257 C15H17N2O2	229 C14H17N2O	130 C9H8N	118 C5H12NO2	72 C4H10N	55 C4H7
275 C15H19N2O3
257 C15H17N2O2	H2O
229 C14H17N2O	CH2O2	CO
130 C9H8N	C6H11NO3	C6H9NO2	C5H9NO
118 C5H12NO2	C10H7NO	C10H5N
72 C4H10N	C11H9NO3	C11H7NO2	C10H7NO		CH2O2
55 C4H7	C11H12N2O3	C11H10N2O2	C10H10N2O	C5HN	CH5NO2	H3N

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