MassBank:KOX00197p

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Ion Frequency

Prec.-Product

Neutral Loss

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2'-Deoxycytidine

IDs and Links
MassBank	2'-Deoxycytidine
CAS	951-77-9
Keio ID	D055+

Top 10 Similar Molecules of 2'-Deoxycytidine

[show] Ranking	About scoring
KOX00174p Score:27.67 KOX00631p Score:20.08 KOX00145p Score:20.08 KOX00876p Score:16.22 KOX00780p Score:16.22 KOX00427p Score:16.22 KOX00111p Score:16.22 KOX00420p Score:15.31 KOX00245p Score:13.68 KOX00429p Score:12.53	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
C9H14N3O4 (228)	C4H6N3O (112)	a
C9H14N3O4 (228)	C3H5N2 (69)	a+b,-NH3
C9H14N3O4 (228)	C3H3N2 (67)	a+b,-NH3
C4H6N3O (112)	C4H3N2O (95)	IT
C4H6N3O (112)	C3H5N2 (69)	IT

Precursor-Product Relationship

[show] 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。

[hide] KOX00197p	228 C9H14N3O4	112 C4H6N3O	95 C4H3N2O	94 C4H4N3	81 C4H5N2	81 C5H5O	69 C3H5N2	67 C5H7	67 C3H3N2
228 C9H14N3O4
112 C4H6N3O	C5H8O3
95 C4H3N2O	C5H11NO3	H3N
94 C4H4N3	C5H10O4	H2O
81 C4H5N2	C5H9NO4	HNO
81 C5H5O	C4H9N3O3
69 C3H5N2	C6H9NO4	CHNO			C
67 C5H7	C4H7N3O4
67 C3H3N2	C6H11NO4	CH3NO	CO	CHN	CH2		H2

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