MassBank:KOX00147p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Creatinine

IDs and Links
MassBank	Creatinine
CAS	60-27-5
Keio ID	C034+

Top 10 Similar Molecules of Creatinine

Ranking	About scoring
KOX00683p Score:10.38 KOX00762p Score:10.12 KOX00894p Score:9.84 KOX00737p Score:9.84 KOX00104p Score:5.94 KOX00868p Score:4.15 KOX00852p Score:4.15 KOX00815p Score:4.15 KOX00794p Score:4.15 KOX00772p Score:4.15	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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Annotations

Precursor	Product	Comments
C4H8N3O (114)	C3H8N3 (86)	a
C4H8N3O (114)	C3H6NO (72)	b
C4H8N3O (114)	C2H3N2 (55)	c,-CH4

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。

KOX00147p	114 C4H8N3O	86 C3H8N3	72 C3H6NO	55 C2H3N2
114 C4H8N3O
86 C3H8N3	CO
72 C3H6NO	CH2N2
55 C2H3N2	C2H5NO	CH5N

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