MassBank:KOX00162p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Cocarboxylase

IDs and Links
MassBank	Cocarboxylase
CAS	154-87-0
Keio ID	C077+

Top 10 Similar Molecules of Cocarboxylase

Ranking	About scoring
KOX00608p Score:21.99 KOX00606p Score:15.35 KOX00420p Score:9.41 KOX00136p Score:9.41 KOX00775p Score:5.94 KOX00913p Score:3.69 KOX00911p Score:3.69 KOX00897p Score:3.69 KOX00881p Score:3.69 KOX00876p Score:3.69	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 C12H18N4O4PS:   KOX00608p   Pages Related to Peak C6H8NS:   KOX00606p  KOX00608p  KOX00775p   Pages Related to Peak C6H8N3:   KOX00136p  KOX00420p  KOX00606p  KOX00608p   Pages Related to Peak C4H5N2:   KOX00056p  KOX00062p  KOX00086p  KOX00111p  KOX00136p  KOX00197p  KOX00215p  KOX00308p  KOX00313p  KOX00420p  KOX00427p  KOX00443p  KOX00526p  KOX00588p  KOX00590p  KOX00596p  KOX00606p  KOX00608p  KOX00684p  KOX00721p  KOX00746p  KOX00749p  KOX00750p  KOX00756p  KOX00761p  KOX00779p  KOX00780p  KOX00782p  KOX00791p  KOX00793p  KOX00803p  KOX00846p  KOX00876p  KOX00881p  KOX00897p  KOX00911p  KOX00913p

Annotations

Precursor	Product	Comments
C12H19N4O7P2S (425)	C12H18N4O4PS (345)	f
C12H19N4O7P2S (425)	C12H16N4O3PS (327)	f,-H2O
C12H19N4O7P2S (425)	C6H12NO7P2S (304)	b
C12H19N4O7P2S (425)	C6H8N3 (122)	a

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。

KOX00162p	425 C12H19N4O7P2S	345 C12H18N4O4PS	327 C12H16N4O3PS	304 C6H12NO7P2S	126 C6H8NS	122 C6H8N3	81 C4H5N2
425 C12H19N4O7P2S
345 C12H18N4O4PS	HO3P
327 C12H16N4O3PS	H3O4P	H2O
304 C6H12NO7P2S	C6H7N3
126 C6H8NS	C6H11N3O7P2	C6H10N3O4P	C6H8N3O3P	H4O7P2
122 C6H8N3	C6H11NO7P2S	C6H10NO4PS	C6H8NO3PS
81 C4H5N2	C8H14N2O7P2S	C8H13N2O4PS	C8H11N2O3PS			C2H3N

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