MassBank:KOX00840p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-Pyridoxate

IDs and Links
MassBank	4-Pyridoxate
CAS	82-82-6
Keio ID	P079+

Top 10 Similar Molecules of 4-Pyridoxate

Ranking	About scoring
KOX00886p Score:42.62 KOX00034p Score:33.01 KOX00371p Score:30.4 KOX00673p Score:29.4 KOX00006p Score:29.4 KOX00748p Score:29.18 KOX00788p Score:28.56 KOX00531p Score:27.79 KOX00912p Score:27.22 KOX00811p Score:27.22	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
C8H10NO4 (184)	C8H8NO3 (166)	-H2O
C8H10NO4 (184)	C7H8NO2 (138)	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。

KOX00840p	184 C8H10NO4	166 C8H8NO3	148 C8H6NO2	138 C7H8NO2	130 C8H4NO	122 C6H4NO2	120 C7H6NO	110 C6H8NO	104 C7H6N	96 C5H6NO	94 C6H8N	94 C5H4NO	93 C6H7N	93 C6H5O	92 C6H6N	80 C5H6N	78 C5H4N	77 C6H5	65 C5H5	52 C3H2N	51 C4H3
184 C8H10NO4
166 C8H8NO3	H2O
148 C8H6NO2	H4O2	H2O
138 C7H8NO2	CH2O2	CO
130 C8H4NO	H6O3	H4O2	H2O
122 C6H4NO2	C2H6O2	C2H4O	C2H2	CH4
120 C7H6NO	CH4O3	CH2O2	CO	H2O
110 C6H8NO	C2H2O3	C2O2		CO
104 C7H6N	CH4O4	CH2O3	CO2	H2O2			O
96 C5H6NO	C3H4O3	C3H2O2	C3O	C2H2O			C2	CH2
94 C6H8N	C2H2O4	C2O3		CO2				O
94 C5H4NO	C3H6O3	C3H4O2	C3H2O	C2H4O	C3	CO	C2H2	CH4		H2
93 C6H7N	C2H3O4	C2HO3		CHO2				HO			H
93 C6H5O	C2H5NO3	C2H3NO2	C2HNO	CH3NO			CHN	H3N
92 C6H6N	C2H4O4	C2H2O3	C2O2	CH2O2			CO	H2O	C		H2		H
80 C5H6N	C3H4O4	C3H2O3	C3O2	C2H2O2			C2O	CH2O	C2	O	CH2		CH		C
78 C5H4N	C3H6O4	C3H4O3	C3H2O2	C2H4O2	C3O	CO2	C2H2O	CH4O	C2H2	H2O	CH4	O	CH3		CH2	H2
77 C6H5	C2H5NO4	C2H3NO3	C2HNO2	CH3NO2			CHNO	H3NO	CHN		H3N		H2N	O	HN
65 C5H5	C3H5NO4	C3H3NO3	C3HNO2	C2H3NO2			C2HNO	CH3NO	C2HN	HNO	CH3N		CH2N	CO	CHN	HN		C
52 C3H2N	C5H8O4	C5H6O3	C5H4O2	C4H6O2	C5H2O	C3H2O2	C4H4O	C3H6O	C4H4	C2H4O	C3H6	C2H2O	C3H5		C3H4	C2H4	C2H2
51 C4H3	C4H7NO4	C4H5NO3	C4H3NO2	C3H5NO2	C4HNO	C2HNO2	C3H3NO	C2H5NO	C3H3N	CH3NO	C2H5N	CHNO	C2H4N	C2H2O	C2H3N	CH3N	CHN	C2H2	CH2

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