MassBank:KOX00750p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Histidinol

IDs and Links
MassBank	Histidinol
CAS
Keio ID	H069+

Top 10 Similar Molecules of Histidinol

Ranking	About scoring
KOX00793p Score:36.13 KOX00086p Score:34.52 KOX00791p Score:31.16 KOX00308p Score:30.06 KOX00749p Score:25.56 KOX00056p Score:25.56 KOX00313p Score:20.02 KOX00215p Score:20.02 KOX00136p Score:20.02 KOX00062p Score:20.02	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
C6H12N3O (142)	C6H9N2O (125)	d
C6H12N3O (142)	C6H10N3 (124)	c
C6H12N3O (142)	C4H7N2 (83)	a
C6H12N3O (142)	C4H6N2 (82)	a,rad.
C6H12N3O (142)	C4H5N2 (81)	a
C6H12N3O (142)	C2H6NO (60)	e

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。

KOX00750p	142 C6H12N3O	125 C6H9N2O	124 C6H10N3	107 C6H7N2	97 C5H9N2	95 C5H7N2	83 C4H7N2	82 C4H6N2	81 C4H5N2	68 C4H6N	60 C2H6NO	54 C3H4N	52 C3H2N
142 C6H12N3O
125 C6H9N2O	H3N
124 C6H10N3	H2O
107 C6H7N2	H5NO	H2O	H3N
97 C5H9N2	CH3NO	CO	CHN
95 C5H7N2	CH5NO	CH2O	CH3N	C	H2
83 C4H7N2	C2H5NO	C2H2O	C2H3N	C2	CH2	C
82 C4H6N2	C2H6NO	C2H3O	C2H4N	C2H	CH3	CH	H
81 C4H5N2	C2H7NO	C2H4O	C2H5N	C2H2	CH4	CH2	H2	H
68 C4H6N	C2H6N2O	C2H3NO	C2H4N2	C2HN	CH3N	CHN	HN	N
60 C2H6NO	C4H6N2	C4H3N
54 C3H4N	C3H8N2O	C3H5NO	C3H6N2	C3H3N	C2H5N	C2H3N	CH3N	CH2N	CHN	CH2
52 C3H2N	C3H10N2O	C3H7NO	C3H8N2	C3H5N	C2H7N	C2H5N	CH5N	CH4N	CH3N	CH4		H2

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