MassBank:KOX00317p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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6-Hydroxynicotinate

IDs and Links
MassBank	6-Hydroxynicotinate
CAS	5006-66-6
Keio ID	H015+

Top 10 Similar Molecules of 6-Hydroxynicotinate

Ranking	About scoring
KOX00840p Score:22.9 KOX00531p Score:19.85 KOX00788p Score:11.8 KOX00859p Score:10.44 KOX00847p Score:10.44 KOX00832p Score:10.44 KOX00826p Score:10.44 KOX00810p Score:10.44 KOX00809p Score:10.44 KOX00745p Score:10.44	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
C6H6NO3 (140)	C6H4NO2 (122)	-H2O
C6H6NO3 (140)	C5H3O2 (95)	d
C6H6NO3 (140)	C5H4NO (94)	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。

KOX00317p	140 C6H6NO3	122 C6H4NO2	95 C5H3O2	94 C5H4NO	78 C5H4N	66 C4H4N	52 C3H2N	51 C4H3
140 C6H6NO3
122 C6H4NO2	H2O
95 C5H3O2	CH3NO	CHN
94 C5H4NO	CH2O2	CO
78 C5H4N	CH2O3	CO2		O
66 C4H4N	C2H2O3	C2O2		CO	C
52 C3H2N	C3H4O3	C3H2O2		C2H2O	C2H2	CH2
51 C4H3	C2H3NO3	C2HNO2	CO2	CHNO	CHN	HN

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