MassBank:KOX00628p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Xanthurenate

IDs and Links
MassBank	Xanthurenate
CAS	59-00-7
Keio ID	X004+

Top 10 Similar Molecules of Xanthurenate

Ranking	About scoring
KOX00766p Score:20.77 KOX00840p Score:17.19 KOX00886p Score:13.29 KOX00673p Score:13.29 KOX00371p Score:13.29 KOX00034p Score:13.29 KOX00006p Score:13.29 KOX00912p Score:12.5 KOX00879p Score:12.5 KOX00872p Score:12.5	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
C10H8NO4 (206)	C10H6NO3 (188)	-H2O
C10H8NO4 (206)	C9H8NO3 (178)	x
C10H8NO4 (206)	C9H6NO2 (160)	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。

KOX00628p	206 C10H8NO4	188 C10H6NO3	178 C9H8NO3	160 C9H6NO2	132 C8H6NO	120 C7H6NO	105 C7H5O	104 C7H6N	88 C3H6NO2	77 C6H5	65 C5H5	51 C4H3
206 C10H8NO4
188 C10H6NO3	H2O
178 C9H8NO3	CO
160 C9H6NO2	CH2O2	CO	H2O
132 C8H6NO	C2H2O3	C2O2	CH2O2	CO
120 C7H6NO	C3H2O3	C3O2	C2H2O2	C2O	C
105 C7H5O	C3H3NO3	C3HNO2	C2H3NO2	C2HNO	CHN	HN
104 C7H6N	C3H2O4	C3O3	C2H2O3	C2O2	CO	O
88 C3H6NO2	C7H2O2	C7O	C6H2O	C6
77 C6H5	C4H3NO4	C4HNO3	C3H3NO3	C3HNO2	C2HNO	CHNO	CO	CHN
65 C5H5	C5H3NO4	C5HNO3	C4H3NO3	C4HNO2	C3HNO	C2HNO	C2O	C2HN		C
51 C4H3	C6H5NO4	C6H3NO3	C5H5NO3	C5H3NO2	C4H3NO	C3H3NO	C3H2O	C3H3N		C2H2	CH2

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