MassBank:KOX00824p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Phenazopyridine

IDs and Links
MassBank	Phenazopyridine
CAS	94-78-0
Keio ID	P036+

Top 10 Similar Molecules of Phenazopyridine

Ranking	About scoring
KOX00840p Score:13.82 KOX00118p Score:13.82 KOX00876p Score:12.86 KOX00302p Score:11.15 KOX00032p Score:11.15 KOX00886p Score:10.04 KOX00877p Score:10.04 KOX00789p Score:10.04 KOX00673p Score:10.04 KOX00231p Score:10.04	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
C11H12N5 (214)	C11H9N4 (197)	-NH3
C11H12N5 (214)	C5H7N3 (109)	b,rad.
C11H12N5 (214)	C5H6N3 (108)	b
C11H12N5 (214)	C6H7N (93)	c,rad.
C11H12N5 (214)	C6H6N (92)	c
C11H12N5 (214)	C6H5 (77)	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。

KOX00824p	214 C11H12N5	197 C11H9N4	122 C5H6N4	121 C5H5N4	109 C5H7N3	108 C5H6N3	93 C6H7N	92 C6H6N	80 C4H4N2	77 C6H5	52 C3H2N
214 C11H12N5
197 C11H9N4	H3N
122 C5H6N4	C6H6N	C6H3
121 C5H5N4	C6H7N	C6H4	H
109 C5H7N3	C6H5N2	C6H2N
108 C5H6N3	C6H6N2	C6H3N	N		H
93 C6H7N	C5H5N4	C5H2N3
92 C6H6N	C5H6N4	C5H3N3					H
80 C4H4N2	C7H8N3	C7H5N2	CH2N2	CHN2	CH3N	CH2N
77 C6H5	C5H7N5	C5H4N4					H2N	HN
52 C3H2N	C8H10N4	C8H7N3	C2H4N3	C2H3N3	C2H5N2	C2H4N2	C3H5	C3H4	CH2N

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