MassBank:KOX00897p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Xanthopterin

IDs and Links
MassBank	Xanthopterin
CAS	14331-49-8
Keio ID	X012+

Top 10 Similar Molecules of Xanthopterin

Ranking	About scoring
KOX00266p Score:14.97 KOX00054p Score:14.97 KOX00851p Score:11.07 KOX00300p Score:11.07 KOX00201p Score:11.07 KOX00429p Score:10.53 KOX00780p Score:7.58 KOX00721p Score:7.58 KOX00443p Score:7.58 KOX00427p Score:7.58	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
C6H6N5O2 (180)	C6H3N4O2 (163)	a
C6H6N5O2 (180)	C5H6N5O (152)	b[c]

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。

KOX00897p	180 C6H6N5O2	163 C6H3N4O2	152 C5H6N5O	135 C5H3N4O	108 C4H2N3O	81 C4H5N2	80 C3H2N3	55 C2H3N2	53 C2HN2
180 C6H6N5O2
163 C6H3N4O2	H3N
152 C5H6N5O	CO
135 C5H3N4O	CH3NO	CO	H3N
108 C4H2N3O	C2H4N2O	C2HNO	CH4N2	CHN
81 C4H5N2	C2HN3O2		CHN3O
80 C3H2N3	C3H4N2O2	C3HNO2	C2H4N2O	C2HNO	CO
55 C2H3N2	C4H3N3O2	C4N2O2	C3H3N3O	C3N2O		C2H2
53 C2HN2	C4H5N3O2	C4H2N2O2	C3H5N3O	C3H2N2O	C2HNO	C2H4	CHN	H2

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