MassBank:KOX00104p

General Index

All Molecules KOX PR PBX COX

Ion Frequency

Prec.-Product

Neutral Loss

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Hydroxyatrazine

IDs and Links
MassBank	Hydroxyatrazine
CAS	2163-68-0
Keio ID	A196+

Top 10 Similar Molecules of Hydroxyatrazine

Ranking	About scoring
KOX00737p Score:18.3 KOX00894p Score:15.46 KOX00691p Score:15.17 KOX00276p Score:9.51 KOX00682p Score:9.23 KOX00558p Score:9.23 KOX00126p Score:9 KOX00854p Score:5.94 KOX00796p Score:5.94 KOX00147p Score:5.94	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。

Links

Page list for each fragment

Pages Related to Peak C5H10N3O:   KOX00276p  KOX00894p   Pages Related to Peak C8H12N:   KOX00697p  KOX00703p  KOX00719p  KOX00720p  KOX00795p  KOX00828p   Pages Related to Peak C4H8N3O:   KOX00147p  KOX00737p  KOX00894p   Pages Related to Peak C6H14N:   KOX00691p  KOX00796p  KOX00854p   Pages Related to Peak C4H5N2O:   KOX00126p  KOX00251p  KOX00737p  KOX00846p   Pages Related to Peak C2H4N3O:   KOX00737p   Pages Related to Peak C6H11:   KOX00558p  KOX00682p  KOX00691p   Pages Related to Peak C4H7:   KOX00043p  KOX00079p  KOX00100p  KOX00126p  KOX00233p  KOX00256p  KOX00276p  KOX00284p  KOX00343p  KOX00347p  KOX00368p  KOX00374p  KOX00391p  KOX00393p  KOX00420p  KOX00445p  KOX00464p  KOX00471p  KOX00478p  KOX00508p  KOX00558p  KOX00623p  KOX00633p  KOX00641p  KOX00645p  KOX00655p  KOX00664p  KOX00666p  KOX00669p  KOX00672p  KOX00676p  KOX00682p  KOX00691p  KOX00710p  KOX00711p  KOX00721p  KOX00724p  KOX00731p  KOX00736p  KOX00752p  KOX00758p  KOX00762p  KOX00769p  KOX00770p  KOX00773p  KOX00774p  KOX00784p  KOX00799p  KOX00801p  KOX00818p  KOX00823p  KOX00830p  KOX00857p  KOX00861p  KOX00894p  KOX00900p

Annotations

Precursor	Product	Comments
C8H16N5O (198)	C5H10N5O (156)	d
C8H16N5O (198)	C5H10N3O (128)	c
C8H16N5O (198)	C4H8N3O (114)	b
C8H16N5O (198)	C4H5N2O (97)	e
C5H10N5O (156)	C4H8N3O (114)	IT
C5H10N5O (156)	C2H4N3O (86)	IT
C4H8N3O (114)	C4H5N2O (97)	IT
C4H8N3O (114)	C2H4N3O (86)	IT
C4H8N3O (114)	C2HN2O (69)	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。

KOX00104p	198 C8H16N5O	156 C5H10N5O	128 C5H10N3O	128 C3H6N5O	122 C8H12N	114 C4H8N3O	100 C6H14N	97 C4H5N2O	86 C2H4N3O	83 C6H11	69 C2HN2O	55 C4H7
198 C8H16N5O
156 C5H10N5O	C3H6
128 C5H10N3O	C3H6N2	N2
128 C3H6N5O	C5H10	C2H4
122 C8H12N	H4N4O
114 C4H8N3O	C4H8N2	CH2N2	CH2
100 C6H14N	C2H2N4O
97 C4H5N2O	C4H11N3	CH5N3	CH5N			H3N
86 C2H4N3O	C6H12N2	C3H6N2	C3H6	CH2N2		C2H4
83 C6H11	C2H5N5O				C2HN		H3N
69 C2HN2O	C6H15N3	C3H9N3	C3H9N	CH5N3		C2H7N		C2H4	H3N
55 C4H7	C4H9N5O	CH3N5O	CH3N3O		C4H5N	HN3O	C2H7N			C2H4

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