Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Minoxidil

[edit] Top 10 Similar Molecules of Minoxidil

Ranking	About scoring
KOX00347p Score:22.36 KOX00111p Score:21.67 KOX00780p Score:21.45 KOX00443p Score:21.45 KOX00799p Score:21.05 KOX00721p Score:20.85 KOX00876p Score:20.76 KOX00633p Score:18.81 KOX00136p Score:16.84 KOX00676p Score:16.18	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。

[edit] Links

Page list for each fragment
Pages Related to Peak C7H10N5: KOX00526p Pages Related to Peak C6H8N5: KOX00443p KOX00780p KOX00787p KOX00799p Pages Related to Peak C6H9N4: KOX00111p KOX00721p KOX00876p Pages Related to Peak C6H8N3: KOX00136p KOX00162p KOX00606p KOX00608p Pages Related to Peak C5H7N2: KOX00056p KOX00062p KOX00086p KOX00136p KOX00181p KOX00215p KOX00308p KOX00313p KOX00520p KOX00620p KOX00676p KOX00749p KOX00750p KOX00760p KOX00791p KOX00793p KOX00848p Pages Related to Peak C4H4N3: KOX00004p KOX00054p KOX00111p KOX00145p KOX00174p KOX00197p KOX00245p KOX00315p KOX00427p KOX00429p KOX00435p KOX00443p KOX00451p KOX00526p KOX00631p KOX00633p KOX00707p KOX00708p KOX00711p KOX00721p KOX00780p KOX00787p KOX00799p KOX00829p KOX00841p KOX00876p Pages Related to Peak C5H10N: KOX00041p KOX00069p KOX00095p KOX00343p KOX00347p KOX00393p KOX00459p KOX00508p KOX00647p KOX00648p KOX00654p KOX00655p KOX00659p KOX00661p KOX00687p KOX00766p KOX00769p KOX00811p KOX00861p KOX00862p KOX00868p KOX00890p KOX00900p Pages Related to Peak C4H5N2: KOX00056p KOX00062p KOX00086p KOX00111p KOX00136p KOX00162p KOX00197p KOX00215p KOX00308p KOX00313p KOX00427p KOX00443p KOX00526p KOX00588p KOX00590p KOX00596p KOX00606p KOX00608p KOX00684p KOX00721p KOX00746p KOX00749p KOX00750p KOX00756p KOX00761p KOX00779p KOX00780p KOX00782p KOX00791p KOX00793p KOX00803p KOX00846p KOX00876p KOX00881p KOX00897p KOX00911p KOX00913p Pages Related to Peak C3H4N2: KOX00802p KOX00881p Pages Related to Peak C5H7: KOX00016p KOX00041p KOX00043p KOX00067p KOX00069p KOX00095p KOX00126p KOX00174p KOX00197p KOX00290p KOX00292p KOX00343p KOX00347p KOX00393p KOX00469p KOX00491p KOX00499p KOX00508p KOX00512p KOX00633p KOX00645p KOX00647p KOX00649p KOX00661p KOX00685p KOX00687p KOX00691p KOX00709p KOX00710p KOX00731p KOX00736p KOX00747p KOX00762p KOX00767p KOX00769p KOX00770p KOX00782p KOX00784p KOX00808p KOX00819p KOX00822p KOX00830p KOX00865p KOX00875p KOX00887p KOX00895p Pages Related to Peak C3H3N2: KOX00004p KOX00054p KOX00081p KOX00111p KOX00174p KOX00197p KOX00245p KOX00315p KOX00427p KOX00429p KOX00435p KOX00443p KOX00451p KOX00633p KOX00684p KOX00707p KOX00708p KOX00711p KOX00780p KOX00799p KOX00802p KOX00829p KOX00841p KOX00876p Pages Related to Peak CH6N3: KOX00029p KOX00124p KOX00233p KOX00276p KOX00347p KOX00478p KOX00652p KOX00653p KOX00666p KOX00672p KOX00676p KOX00737p KOX00781p KOX00848p KOX00881p Pages Related to Peak C3H6N: KOX00022p KOX00041p KOX00051p KOX00056p KOX00062p KOX00064p KOX00069p KOX00079p KOX00095p KOX00136p KOX00167p KOX00225p KOX00229p KOX00236p KOX00254p KOX00259p KOX00268p KOX00270p KOX00276p KOX00281p KOX00308p KOX00313p KOX00343p KOX00347p KOX00364p KOX00393p KOX00406p KOX00454p KOX00476p KOX00508p KOX00514p KOX00529p KOX00586p KOX00590p KOX00593p KOX00623p KOX00636p KOX00640p KOX00648p KOX00662p KOX00680p KOX00681p KOX00684p KOX00687p KOX00688p KOX00698p KOX00700p KOX00702p KOX00713p KOX00723p KOX00729p KOX00733p KOX00743p KOX00749p KOX00761p KOX00762p KOX00769p KOX00778p KOX00779p KOX00793p KOX00802p KOX00803p KOX00808p KOX00822p KOX00827p KOX00838p KOX00856p KOX00874p KOX00875p KOX00876p KOX00887p KOX00888p KOX00890p KOX00900p KOX00905p KOX00911p Pages Related to Peak C4H7: KOX00043p KOX00079p KOX00100p KOX00104p KOX00126p KOX00233p KOX00256p KOX00276p KOX00284p KOX00343p KOX00347p KOX00368p KOX00374p KOX00391p KOX00393p 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 Pages Related to Peak C2H3N2: KOX00054p KOX00077p KOX00081p KOX00111p KOX00147p KOX00181p KOX00233p KOX00266p KOX00276p KOX00315p KOX00347p KOX00427p KOX00429p KOX00443p KOX00451p KOX00478p KOX00633p KOX00653p KOX00666p KOX00676p KOX00711p KOX00721p KOX00737p KOX00762p KOX00780p KOX00781p KOX00787p KOX00799p KOX00894p KOX00897p

[edit] Annotations

Precursor	Product	Comments
C9H16N5O (210)	C9H15N5 (193)	b,rad.
C9H16N5O (210)	C5H10N (84)	a
C9H16N5O (210)	C5H7 (67)	c
C9H16N5O (210)	C4H7 (55)	d
C9H15N5 (193)	C7H10N5 (164)	IT
C9H15N5 (193)	C5H10N (84)	IT
C7H10N5 (164)	C7H7N4 (147)	IT

[edit] 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。

KOX00420p	210 C9H16N5O	193 C9H15N5	178 C8H12N5	164 C7H10N5	150 C6H8N5	147 C7H7N4	137 C6H9N4	122 C6H8N3	95 C5H7N2	94 C4H4N3	84 C5H10N	81 C4H5N2	68 C3H4N2	67 C5H7	67 C3H3N2	60 CH6N3	56 C3H6N	55 C4H7	55 C2H3N2
210 C9H16N5O
193 C9H15N5	HO
178 C8H12N5	CH4O	CH3
164 C7H10N5	C2H6O	C2H5	CH2
150 C6H8N5	C3H8O	C3H7	C2H4	CH2
147 C7H7N4	C2H9NO	C2H8N	CH5N	H3N
137 C6H9N4	C3H7NO	C3H6N	C2H3N	CHN
122 C6H8N3	C3H8N2O	C3H7N2	C2H4N2	CH2N2	N2		HN
95 C5H7N2	C4H9N3O	C4H8N3	C3H5N3	C2H3N3	CHN3	C2N2	CH2N2	CHN
94 C4H4N3	C5H12N2O	C5H11N2	C4H8N2	C3H6N2	C2H4N2	C3H3N	C2H5N	C2H4
84 C5H10N	C4H6N4O	C4H5N4	C3H2N4	C2N4
81 C4H5N2	C5H11N3O	C5H10N3	C4H7N3	C3H5N3	C2H3N3	C3H2N2	C2H4N2	C2H3N	CH2
68 C3H4N2	C6H12N3O	C6H11N3	C5H8N3	C4H6N3	C3H4N3	C4H3N2	C3H5N2	C3H4N	C2H3	CN		CH
67 C5H7	C4H9N5O	C4H8N5	C3H5N5	C2H3N5	CHN5	C2N4	CH2N4	CHN3	N2		H3N
67 C3H3N2	C6H13N3O	C6H12N3	C5H9N3	C4H7N3	C3H5N3	C4H4N2	C3H6N2	C3H5N	C2H4	CHN		CH2	H
60 CH6N3	C8H10N2O	C8H9N2	C7H6N2	C6H4N2	C5H2N2	C6HN	C5H3N	C5H2
56 C3H6N	C6H10N4O	C6H9N4	C5H6N4	C4H4N4	C3H2N4	C4HN3	C3H3N3	C3H2N2	C2HN		C2H4
55 C4H7	C5H9N5O	C5H8N5	C4H5N5	C3H3N5	C2HN5	C3N4	C2H2N4	C2HN3	CN2		CH3N			C
55 C2H3N2	C7H13N3O	C7H12N3	C6H9N3	C5H7N3	C4H5N3	C5H4N2	C4H6N2	C4H5N	C3H4	C2HN		C2H2	CH		C

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 &&C9H16N5O&&C9H15N5&&C8H12N5&&C7H10N5&&C6H8N5&&C7H7N4&&C6H9N4&&C6H8N3&&C5H7N2&&C4H4N3&&C5H10N&&C4H5N2&&C3H4N2&&C5H7&&C3H3N2&&CH6N3&&C3H6N&&C4H7&&C2H3N2&&
-&&C9H16N5O: C9H15N5 C7H10N5** C7H7N4** C5H10N C5H7 C4H7
+&&C9H16N5O: C9H15N5
-&&C9H15N5: C7H10N5 C7H7N4** C5H10N C5H7 C4H7
+b,rad.
+&&C9H16N5O: C7H10N5** C7H7N4**
+&&C9H16N5O: C5H10N
+a
+&&C9H16N5O: C5H7
+c
+&&C9H16N5O: C4H7
+d
+&&C9H15N5: C7H10N5
+IT
+&&C9H15N5: C7H7N4**
+&&C9H15N5: C5H10N
+IT
+&&C9H15N5: C5H7 C4H7
 &&C8H12N5: C7H10N5*
-&&C7H10N5: C6H8N5* C7H7N4 C5H10N* C5H7* C4H7*
+&&C7H10N5: C6H8N5*
+&&C7H10N5: C7H7N4
+IT
+&&C7H10N5: C5H10N* C5H7* C4H7*
 &&C7H7N4: C5H7* C4H7*
 &&C6H9N4: C6H8N3*

IDs and Links
MassBank	Minoxidil
CAS
Keio ID	M035+

MassBank:KOX00420p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Minoxidil

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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