Ojima:KOX00510p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Pyridoxine

IDs and Links
MassBank	Pyridoxine
CAS	65-23-6
Keio ID	P053+

Top 10 Similar Molecules of Pyridoxine

Ranking	About scoring
P053+ Score:42.66 N028+ Score:28.75 M127+ Score:27.1 D180+ Score:24.04 E012+ Score:20.37 D032+ Score:20.2 N044+ Score:20.14 N016+ Score:20.14 P113+ Score:18.53 T126+ Score:17.81	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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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。

KOX00510p	170 C8H12NO3	152 C8H10NO2	134 C8H8NO	124 C7H10NO	106 C7H8N	94 C6H8N	80 C5H6N	79 C6H7	77 C6H5	65 C5H5	51 C4H3
170 C8H12NO3
152 C8H10NO2	H2O
134 C8H8NO	H4O2	H2O
124 C7H10NO	CH2O2	CO
106 C7H8N	CH4O3	CH2O2	CO	H2O
94 C6H8N	C2H4O3	C2H2O2	C2O	CH2O	C
80 C5H6N	C3H6O3	C3H4O2	C3H2O	C2H4O	C2H2	CH2
79 C6H7	C2H5NO3	C2H3NO2	C2HNO	CH3NO	CHN	HN
77 C6H5	C2H7NO3	C2H5NO2	C2H3NO	CH5NO	CH3N	H3N		H2
65 C5H5	C3H7NO3	C3H5NO2	C3H3NO	C2H5NO	C2H3N	CH3N	HN	CH2	C
51 C4H3	C4H9NO3	C4H7NO2	C4H5NO	C3H7NO	C3H5N	C2H5N	CH3N	C2H4	C2H2	CH2

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