Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Met

[edit] Top 10 Similar Molecules of Met

Ranking	About scoring
KOX00254p Score:43.76 KOX00051p Score:40.87 KOX00593p Score:15.91 KOX00268p Score:15.91 KOX00636p Score:12.96 KOX00778p Score:11.95 KOX00743p Score:11.95 KOX00586p Score:11.95 KOX00729p Score:10.98 KOX00702p Score:10.98	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 C5H12NO2S: KOX00051p KOX00254p KOX00636p Pages Related to Peak C5H9O2S: KOX00051p KOX00254p Pages Related to Peak C4H10NS: KOX00051p KOX00254p Pages Related to Peak C4H8NO2: KOX00022p KOX00051p KOX00167p KOX00225p KOX00254p KOX00259p KOX00268p KOX00270p KOX00281p KOX00454p KOX00476p KOX00529p KOX00547p KOX00586p KOX00593p KOX00636p KOX00668p KOX00682p KOX00702p KOX00705p KOX00721p KOX00729p KOX00733p KOX00743p KOX00778p KOX00905p Pages Related to Peak C4H7S: KOX00051p KOX00254p Pages Related to Peak C3H8NO: KOX00122p KOX00268p KOX00586p KOX00593p KOX00640p KOX00662p KOX00743p KOX00778p KOX00856p KOX00888p Pages Related to Peak C2H4NO2: KOX00012p KOX00014p KOX00024p KOX00029p KOX00051p KOX00069p KOX00086p KOX00122p KOX00140p KOX00167p KOX00251p KOX00254p KOX00268p KOX00288p KOX00308p KOX00335p KOX00343p KOX00393p KOX00454p KOX00499p KOX00582p KOX00593p KOX00646p KOX00676p KOX00702p KOX00729p KOX00748p KOX00766p Pages Related to Peak C4H9O: KOX00043p KOX00279p KOX00474p KOX00633p KOX00773p KOX00818p Pages Related to Peak C5H5: KOX00006p KOX00032p KOX00034p KOX00041p KOX00073p KOX00107p KOX00118p KOX00120p KOX00131p KOX00154p KOX00189p KOX00201p KOX00221p KOX00231p KOX00236p KOX00254p KOX00302p KOX00328p KOX00359p KOX00371p KOX00377p KOX00422p KOX00456p KOX00467p KOX00485p KOX00491p KOX00510p KOX00514p KOX00536p KOX00558p KOX00577p KOX00580p KOX00604p KOX00620p KOX00628p KOX00635p KOX00645p KOX00647p KOX00656p KOX00673p KOX00674p KOX00689p KOX00693p KOX00694p KOX00697p KOX00704p KOX00713p KOX00718p KOX00719p KOX00720p KOX00722p KOX00724p KOX00725p KOX00766p KOX00775p KOX00784p KOX00788p KOX00789p KOX00790p KOX00797p KOX00805p KOX00807p KOX00809p KOX00811p KOX00814p KOX00823p KOX00828p KOX00831p KOX00834p KOX00840p KOX00853p KOX00854p KOX00859p KOX00863p KOX00866p KOX00870p KOX00872p KOX00877p KOX00878p KOX00879p KOX00880p KOX00883p KOX00886p KOX00912p Pages Related to Peak C2H5S: KOX00048p KOX00051p KOX00181p KOX00254p KOX00661p KOX00707p KOX00885p 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 KOX00420p 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

[edit] Annotations

Precursor	Product	Comments
C5H12NO2S (150)	C5H9O2S (133)	b
C5H12NO2S (150)	C4H10NS (104)	a
C5H12NO2S (150)	C4H8NO2 (102)	d
C5H12NO2S (150)	C2H4NO2 (74)	e
C5H12NO2S (150)	C2H5S (61)	c

[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。

KOX00406p	150 C5H12NO2S	133 C5H9O2S	104 C4H10NS	102 C4H8NO2	87 C4H7S	74 C3H8NO	74 C2H4NO2	73 C4H9O	65 C5H5	61 C2H5S	56 C3H6N
150 C5H12NO2S
133 C5H9O2S	H3N
104 C4H10NS	CH2O2
102 C4H8NO2	CH4S
87 C4H7S	CH5NO2	CH2O2	H3N
74 C3H8NO	C2H4OS			CO
74 C2H4NO2	C3H8S			C2H4
73 C4H9O	CH3NOS	COS
65 C5H5	H7NO2S	H4O2S
61 C2H5S	C3H7NO2	C3H4O2	C2H5N		C2H2
56 C3H6N	C2H6O2S		CH4S	CH2O2		H2O

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IDs and Links
MassBank	Met
CAS	63-68-3
Keio ID	M003+

MassBank:KOX00406p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Met

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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