Ojima:KOX00894p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Velpar

IDs and Links
MassBank	Velpar
CAS	51235-04-2
Keio ID	V020+

Top 10 Similar Molecules of Velpar

Ranking	About scoring
V020+ Score:40.51 H112+ Score:11.61 A196+ Score:8.99 A203+ Score:8.65 G039+ Score:5.72 C034+ Score:5.72 M032+ Score:5.38 A044+ Score:5.38 F025+ Score:5.38 D030+ Score:3.26	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 C12H21N4O2:   V020+   Pages Related to Peak C6H11N4O2:   V020+   Pages Related to Peak C4H8N3O:   A196+  C034+  G039+  V020+   Pages Related to Peak C3H5N2O2:   V020+   Pages Related to Peak C4H9N2:   H112+  V020+   Pages Related to Peak C3H7N2:   F025+  A044+  A203+  H112+  M032+  V020+   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。

KOX00894p	253 C12H21N4O2	171 C6H11N4O2	114 C4H8N3O	101 C3H5N2O2	85 C4H9N2	71 C3H7N2	55 C4H7
253 C12H21N4O2
171 C6H11N4O2	C6H10
114 C4H8N3O	C8H13NO	C2H3NO
101 C3H5N2O2	C9H16N2	C3H6N2
85 C4H9N2	C8H12N2O2	C2H2N2O2
71 C3H7N2	C9H14N2O2	C3H4N2O2	CHNO		CH2
55 C4H7	C8H14N4O2	C2H4N4O2	HN3O		H2N2

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