MassBank:KOX00491p

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Ion Frequency

Prec.-Product

Neutral Loss

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Pyridoxal

IDs and Links
MassBank	Pyridoxal
CAS	66-72-8
Keio ID	P014+

Top 10 Similar Molecules of Pyridoxal

Ranking	About scoring
KOX00912p Score:28.28 KOX00811p Score:28.28 KOX00422p Score:26.34 KOX00840p Score:25.33 KOX00647p Score:25.23 KOX00809p Score:24.41 KOX00510p Score:24.41 KOX00006p Score:21.68 KOX00886p Score:21.43 KOX00034p Score:21.43	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
C8H10NO3 (168)	C8H8NO2 (150)	-H2O
C8H10NO3 (168)	C7H8NO2 (138)	a[d]

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。

KOX00491p	168 C8H10NO3	150 C8H8NO2	138 C7H8NO2	122 C7H8NO	106 C7H8N	104 C7H6N	94 C6H8N	93 C6H7N	78 C5H4N	77 C6H5	67 C5H7	65 C5H5	53 C4H5
168 C8H10NO3
150 C8H8NO2	H2O
138 C7H8NO2	CH2O	C
122 C7H8NO	CH2O2	CO	O
106 C7H8N	CH2O3	CO2	O2	O
104 C7H6N	CH4O3	CH2O2	H2O2	H2O	H2
94 C6H8N	C2H2O3	C2O2	CO2	CO	C
93 C6H7N	C2H3O3	C2HO2	CHO2	CHO	CH		H
78 C5H4N	C3H6O3	C3H4O2	C2H4O2	C2H4O	C2H4	C2H2	CH4	CH3
77 C6H5	C2H5NO3	C2H3NO2	CH3NO2	CH3NO	CH3N	CHN	H3N	H2N
67 C5H7	C3H3NO3	C3HNO2	C2HNO2	C2HNO	C2HN		CHN	CN
65 C5H5	C3H5NO3	C3H3NO2	C2H3NO2	C2H3NO	C2H3N	C2HN	CH3N	CH2N		C	H2
53 C4H5	C4H5NO3	C4H3NO2	C3H3NO2	C3H3NO	C3H3N	C3HN	C2H3N	C2H2N		C2	CH2	C

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