MassBank:KOX00793p

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Ion Frequency

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Neutral Loss

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D-3-Methylhistidine

IDs and Links
MassBank	D-3-Methylhistidine
CAS	368-16-1
Keio ID	M077+

Top 10 Similar Molecules of D-3-Methylhistidine

Ranking	About scoring
KOX00086p Score:48.36 KOX00791p Score:42.13 KOX00750p Score:36.13 KOX00911p Score:30.39 KOX00308p Score:27.5 KOX00749p Score:23.01 KOX00313p Score:23.01 KOX00136p Score:23.01 KOX00062p Score:23.01 KOX00056p Score:23.01	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	Comments
C7H12N3O2 (170)	C6H10N3 (124)	c

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。

KOX00793p	170 C7H12N3O2	124 C6H10N3	109 C6H9N2	107 C6H7N2	97 C5H9N2	96 C5H8N2	95 C5H7N2	83 C4H7N2	81 C4H5N2	68 C4H6N	56 C3H6N	54 C3H4N
170 C7H12N3O2
124 C6H10N3	CH2O2
109 C6H9N2	CH3NO2	HN
107 C6H7N2	CH5NO2	H3N	H2
97 C5H9N2	C2H3NO2	CHN	C
96 C5H8N2	C2H4NO2	CH2N	CH		H
95 C5H7N2	C2H5NO2	CH3N	CH2	C	H2	H
83 C4H7N2	C3H5NO2	C2H3N	C2H2	C2	CH2	CH	C
81 C4H5N2	C3H7NO2	C2H5N	C2H4	C2H2	CH4	CH3	CH2	H2
68 C4H6N	C3H6N2O2	C2H4N2	C2H3N	C2HN	CH3N	CH2N	CHN	HN
56 C3H6N	C4H6N2O2	C3H4N2	C3H3N	C3HN	C2H3N	C2H2N	C2HN	CHN		C
54 C3H4N	C4H8N2O2	C3H6N2	C3H5N	C3H3N	C2H5N	C2H4N	C2H3N	CH3N	CHN	CH2	H2

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