Ojima:KOX00864p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Semicarbazide

IDs and Links
MassBank	Semicarbazide
CAS	57-56-7
Keio ID	S034+

Top 10 Similar Molecules of Semicarbazide

Ranking	About scoring
S034+ Score:18.4 H104+ Score:12.17 C094+ Score:6.23 U005+ Score:5.94	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 CH6N3O:   C094+  S034+   Pages Related to Peak CH3N2O:   H104+  S034+   Pages Related to Peak CH2NO:   H104+  S034+  U005+

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。

KOX00864p	76 CH6N3O	59 CH3N2O	44 CH2NO	31 H3N2
76 CH6N3O
59 CH3N2O	H3N
44 CH2NO	H4N2	HN
31 H3N2	CH3NO	CO

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