MassBank:KOX00746p

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All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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4-Hydroxymethylimidazole

IDs and Links
MassBank	4-Hydroxymethylimidazole
CAS	822-55-9
Keio ID	H025+

Top 10 Similar Molecules of 4-Hydroxymethylimidazole

[show] Ranking	About scoring
KOX00780p Score:15.37 KOX00111p Score:15.37 KOX00590p Score:13.85 KOX00876p Score:11.6 KOX00721p Score:11.6 KOX00684p Score:11.6 KOX00427p Score:11.6 KOX00846p Score:10.99 KOX00756p Score:10.99 KOX00750p Score:10.99	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
C4H7N2O (99)	C4H5N2 (81)	a
C4H7N2O (99)	C3H5N2 (69)	b

Precursor-Product Relationship

[show] 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。

[hide] KOX00746p	99 C4H7N2O	81 C4H5N2	69 C3H5N2	54 C3H4N	52 C3H2N
99 C4H7N2O
81 C4H5N2	H2O
69 C3H5N2	CH2O	C
54 C3H4N	CH3NO	CHN	HN
52 C3H2N	CH5NO	CH3N	H3N	H2

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