Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Thr

[edit] Top 10 Similar Molecules of Thr

Ranking	About scoring
KOX00778p Score:26.32 KOX00593p Score:26.32 KOX00743p Score:17.67 KOX00905p Score:16.54 KOX00268p Score:15.75 KOX00662p Score:12.76 KOX00640p Score:12.76 KOX00721p Score:12.68 KOX00406p Score:11.95 KOX00733p Score:10.82	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 C4H10NO3: KOX00593p KOX00743p KOX00778p KOX00905p Pages Related to Peak C4H8NO2: KOX00022p KOX00051p KOX00167p KOX00225p KOX00254p KOX00259p KOX00268p KOX00270p KOX00281p KOX00406p KOX00454p KOX00476p KOX00529p KOX00547p KOX00593p KOX00636p KOX00668p KOX00682p KOX00702p KOX00705p KOX00721p KOX00729p KOX00733p KOX00743p KOX00778p KOX00905p Pages Related to Peak C4H6NO: KOX00022p KOX00067p KOX00102p KOX00225p KOX00254p KOX00259p KOX00268p KOX00270p KOX00281p KOX00290p KOX00292p KOX00306p KOX00401p KOX00454p KOX00476p KOX00529p KOX00547p KOX00588p KOX00590p KOX00593p KOX00702p KOX00705p KOX00721p KOX00729p KOX00733p KOX00736p KOX00739p KOX00740p KOX00778p KOX00794p KOX00795p KOX00868p KOX00905p Pages Related to Peak C3H8NO: KOX00122p KOX00268p KOX00406p KOX00593p KOX00640p KOX00662p KOX00743p KOX00778p KOX00856p KOX00888p Pages Related to Peak C3H5O: KOX00174p KOX00573p KOX00593p KOX00640p KOX00659p KOX00662p KOX00721p KOX00778p KOX00868p KOX00893p KOX00907p 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 KOX00420p KOX00454p KOX00476p KOX00508p KOX00514p KOX00529p 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
C4H10NO3 (120)	C4H8NO2 (102)	-H2O
C4H10NO3 (120)	C3H8NO (74)	a

[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。

KOX00586p	120 C4H10NO3	102 C4H8NO2	84 C4H6NO	74 C3H8NO	57 C3H5O	56 C3H6N
120 C4H10NO3
102 C4H8NO2	H2O
84 C4H6NO	H4O2	H2O
74 C3H8NO	CH2O2	CO
57 C3H5O	CH5NO2	CH3NO	CHN	H3N
56 C3H6N	CH4O3	CH2O2	CO	H2O

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IDs and Links
MassBank	Thr
CAS	72-19-5
Keio ID	T010+

MassBank:KOX00586p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Thr

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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