MassBank:KOX00683p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Creatine

IDs and Links
MassBank	Creatine
CAS	57-00-1
Keio ID	C008+

Top 10 Similar Molecules of Creatine

Ranking	About scoring
KOX00737p Score:11.48 KOX00903p Score:10.56 KOX00147p Score:10.38 KOX00223p Score:9.87 KOX00663p Score:8.99 KOX00499p Score:8.99 KOX00083p Score:8.99 KOX00018p Score:8.99 KOX00010p Score:8.99 KOX00008p Score:8.99	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 C4H10N3O2:   KOX00737p   Pages Related to Peak C3H8NO2:   KOX00008p  KOX00010p  KOX00018p  KOX00083p  KOX00499p  KOX00560p  KOX00662p  KOX00663p  KOX00737p  KOX00843p  KOX00903p   Pages Related to Peak C3H7N2O:   KOX00012p  KOX00223p  KOX00279p  KOX00903p   Pages Related to Peak C3H8N3:   KOX00147p  KOX00762p   Pages Related to Peak C3H6NO:   KOX00008p  KOX00010p  KOX00018p  KOX00083p  KOX00147p  KOX00167p  KOX00223p  KOX00225p  KOX00288p  KOX00292p  KOX00499p  KOX00641p  KOX00642p  KOX00654p  KOX00663p  KOX00718p  KOX00739p  KOX00740p  KOX00772p  KOX00794p  KOX00815p  KOX00852p  KOX00868p

Annotations

Precursor	Product	Comments
C4H10N3O2 (132)	C3H8NO2 (90)	a
C4H10N3O2 (132)	C3H8N3 (86)	b

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。

KOX00683p	132 C4H10N3O2	90 C3H8NO2	87 C3H7N2O	86 C3H8N3	72 C3H6NO
132 C4H10N3O2
90 C3H8NO2	CH2N2
87 C3H7N2O	CH3NO
86 C3H8N3	CH2O2
72 C3H6NO	CH4N2O	H2O	HN

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