Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

g-Guanidinobutyrate

[edit] Top 10 Similar Molecules of g-Guanidinobutyrate

Ranking	About scoring
KOX00662p Score:22.02 KOX00002p Score:19.04 KOX00420p Score:14.72 KOX00347p Score:14.72 KOX00894p Score:13.41 KOX00676p Score:11.74 KOX00666p Score:11.74 KOX00478p Score:11.74 KOX00233p Score:11.74 KOX00799p Score:11.01	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 C5H9N2O2: KOX00223p Pages Related to Peak C5H10N3O: KOX00104p KOX00894p Pages Related to Peak C5H7N2O: KOX00761p Pages Related to Peak C4H10NO2: KOX00002p KOX00039p KOX00059p KOX00113p KOX00662p KOX00700p Pages Related to Peak C4H7O2: KOX00002p KOX00039p KOX00251p KOX00644p KOX00662p KOX00696p Pages Related to Peak C4H8NO: KOX00002p KOX00083p KOX00102p KOX00138p KOX00205p KOX00292p KOX00335p KOX00368p KOX00547p KOX00642p KOX00662p KOX00715p KOX00739p KOX00740p KOX00744p KOX00795p KOX00888p Pages Related to Peak C4H5O: KOX00002p KOX00004p KOX00016p KOX00027p KOX00067p KOX00077p KOX00102p KOX00256p KOX00266p KOX00290p KOX00292p KOX00313p KOX00447p KOX00483p KOX00518p KOX00526p KOX00547p KOX00573p KOX00588p KOX00662p KOX00687p KOX00708p KOX00736p KOX00739p KOX00740p KOX00774p KOX00776p KOX00794p KOX00795p KOX00799p KOX00841p KOX00893p Pages Related to Peak CH6N3: KOX00029p KOX00124p KOX00233p KOX00347p KOX00420p 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 KOX00281p KOX00308p KOX00313p KOX00343p KOX00347p KOX00364p KOX00393p KOX00406p 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 Pages Related to Peak C4H7: KOX00043p KOX00079p KOX00100p KOX00104p KOX00126p KOX00233p KOX00256p 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 Pages Related to Peak C2H3N2: KOX00054p KOX00077p KOX00081p KOX00111p KOX00147p KOX00181p KOX00233p KOX00266p KOX00315p KOX00347p KOX00420p KOX00427p KOX00429p KOX00443p KOX00451p KOX00478p KOX00633p KOX00653p KOX00666p KOX00676p KOX00711p KOX00721p KOX00737p KOX00762p KOX00780p KOX00781p KOX00787p KOX00799p KOX00894p KOX00897p

[edit] Annotations

Precursor	Product	Comments
C5H12N3O2 (146)	C5H9N2O2 (129)	d
C5H12N3O2 (146)	C5H10N3O (128)	c
C5H12N3O2 (146)	C4H10NO2 (104)	a
C5H12N3O2 (146)	C4H7O2 (87)	b
C5H12N3O2 (146)	CH6N3 (60)	g

[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。

KOX00276p	146 C5H12N3O2	129 C5H9N2O2	128 C5H10N3O	111 C5H7N2O	104 C4H10NO2	87 C4H7O2	86 C4H8NO	69 C4H5O	60 CH6N3	56 C3H6N	55 C4H7	55 C2H3N2
146 C5H12N3O2
129 C5H9N2O2	H3N
128 C5H10N3O	H2O
111 C5H7N2O	H5NO	H2O	H3N
104 C4H10NO2	CH2N2
87 C4H7O2	CH5N3	CH2N2			H3N
86 C4H8NO	CH4N2O	CHNO	CH2N2		H2O
69 C4H5O	CH7N3O	CH4N2O	CH5N3	CH2N2	H5NO	H2O	H3N
60 CH6N3	C4H6O2		C4H4O
56 C3H6N	C2H6N2O2	C2H3NO2	C2H4N2O	C2HNO	CH4O2		CH2O
55 C4H7	CH5N3O2	CH2N2O2	CH3N3O	CN2O	H3NO2	O2	HNO
55 C2H3N2	C3H9NO2	C3H6O2	C3H7NO	C3H4O

(pos/neg)<<First Page (pos/neg)<Previous Page

Next Page>(pos/neg) Last Page>>(pos/neg)

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 &&C5H12N3O2&&C5H9N2O2&&C5H10N3O&&C5H7N2O&&C4H10NO2&&C4H7O2&&C4H8NO&&C4H5O&&CH6N3&&C3H6N&&C4H7&&C2H3N2&&
-&&C5H12N3O2: C5H9N2O2 C5H10N3O C4H10NO2 C4H7O2 CH6N3
+&&C5H12N3O2: C5H9N2O2
-&&C5H9N2O2: C5H7N2O C4H7O2 C2H3N2
+d
-&&C5H10N3O: C5H7N2O C4H8NO C4H5O CH6N3
+&&C5H12N3O2: C5H10N3O
-&&C5H7N2O: C4H5O C2H3N2
+c
-&&C4H10NO2: C4H7O2 C4H8NO C3H6N
+&&C5H12N3O2: C5H7N2O**
-&&C4H7O2: C4H5O
+&&C5H12N3O2: C4H10NO2
-&&C4H8NO: C4H5O C3H6N
+a
+&&C5H12N3O2: C4H7O2
+b
+&&C5H12N3O2: C4H8NO** C4H5O**
+&&C5H12N3O2: CH6N3
+g
+&&C5H12N3O2: C3H6N** C4H7** C2H3N2**
+&&C5H9N2O2: C5H7N2O C4H7O2 C4H8NO** C4H5O** C3H6N** C4H7** C2H3N2
+&&C5H10N3O: C5H7N2O C4H8NO C4H5O CH6N3 C3H6N** C4H7** C2H3N2**
+&&C5H7N2O: C4H5O C3H6N** C4H7** C2H3N2
+&&C4H10NO2: C4H7O2 C4H8NO C4H5O** C3H6N C4H7**
+&&C4H7O2: C4H5O C4H7**
+&&C4H8NO: C4H5O C3H6N C4H7**
 }}

IDs and Links
MassBank	g-Guanidinobutyrate
CAS	463-00-3
Keio ID	G032+

MassBank:KOX00276p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of g-Guanidinobutyrate

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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