MassBank:KOX00308p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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His

IDs and Links
MassBank	His
CAS	71-00-1
Keio ID	H002+

Top 10 Similar Molecules of His

Ranking	About scoring
KOX00056p Score:50.17 KOX00313p Score:39.5 KOX00136p Score:39.5 KOX00750p Score:30.06 KOX00749p Score:28.55 KOX00086p Score:28.48 KOX00793p Score:27.5 KOX00791p Score:24.52 KOX00062p Score:23.01 KOX00761p Score:20.07	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
C6H10N3O2 (156)	C5H8N3 (110)	a
C6H10N3O2 (156)	C4H7N2 (83)	b
C6H10N3O2 (156)	C4H6N2 (82)	b,rad.
C6H10N3O2 (156)	C4H5N2 (81)	b
C6H10N3O2 (156)	C2H4NO2 (74)	d
C5H8N3 (110)	C5H5N2 (93)	IT
C5H8N3 (110)	C4H7N2 (83)	IT

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。

KOX00308p	156 C6H10N3O2	110 C5H8N3	97 C5H9N2	95 C5H7N2	93 C5H5N2	83 C4H7N2	82 C4H6N2	81 C4H5N2	74 C2H4NO2	68 C4H6N	66 C4H4N	56 C3H6N	54 C3H4N
156 C6H10N3O2
110 C5H8N3	CH2O2
97 C5H9N2	CHNO2
95 C5H7N2	CH3NO2	HN	H2
93 C5H5N2	CH5NO2	H3N	H4	H2
83 C4H7N2	C2H3NO2	CHN	CH2	C
82 C4H6N2	C2H4NO2	CH2N	CH3	CH		H
81 C4H5N2	C2H5NO2	CH3N	CH4	CH2	C	H2	H
74 C2H4NO2	C4H6N2
68 C4H6N	C2H4N2O2	CH2N2	CH3N	CHN		HN	N
66 C4H4N	C2H6N2O2	CH4N2	CH5N	CH3N	CHN	H3N	H2N	HN		H2
56 C3H6N	C3H4N2O2	C2H2N2	C2H3N	C2HN		CHN	CN			C
54 C3H4N	C3H6N2O2	C2H4N2	C2H5N	C2H3N	C2HN	CH3N	CH2N	CHN		CH2	C	H2

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