Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Protopine

[edit] Top 10 Similar Molecules of Protopine

Ranking	About scoring
KOX00658p Score:58.56 KOX00236p Score:21.16 KOX00880p Score:15.91 KOX00870p Score:15.91 KOX00580p Score:15.91 KOX00895p Score:14.2 KOX00882p Score:14.2 KOX00582p Score:12.89 KOX00485p Score:12.67 KOX00053p Score:12.67	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 C20H18NO4: KOX00658p KOX00837p Pages Related to Peak C18H11O3: KOX00658p Pages Related to Peak C17H11O2: KOX00658p Pages Related to Peak C11H12NO3: KOX00445p KOX00658p Pages Related to Peak C11H10NO2: KOX00539p KOX00582p KOX00658p Pages Related to Peak C9H9O2: KOX00053p KOX00485p KOX00658p TestData_Bensulfuron-methyl Pages Related to Peak C8H7O2: KOX00160p KOX00236p KOX00658p KOX00814p KOX00882p KOX00892p KOX00895p Pages Related to Peak C8H7O: KOX00189p KOX00236p KOX00398p KOX00580p KOX00658p KOX00667p KOX00722p KOX00725p KOX00859p KOX00870p KOX00880p KOX00882p KOX00883p KOX00895p Pages Related to Peak C8H8N: KOX00053p KOX00157p KOX00236p KOX00238p KOX00325p KOX00359p KOX00377p KOX00385p KOX00424p KOX00433p KOX00485p KOX00514p KOX00526p KOX00580p KOX00582p KOX00604p KOX00647p KOX00648p KOX00657p KOX00658p KOX00674p KOX00687p KOX00703p KOX00718p KOX00723p KOX00766p KOX00797p KOX00798p KOX00808p KOX00809p KOX00811p KOX00859p KOX00866p KOX00870p KOX00878p KOX00879p KOX00880p KOX00912p Pages Related to Peak C7H7O: KOX00160p KOX00189p KOX00199p KOX00236p KOX00385p KOX00514p KOX00580p KOX00658p KOX00722p KOX00723p KOX00807p KOX00808p KOX00814p KOX00870p KOX00880p KOX00881p KOX00882p KOX00892p KOX00895p Pages Related to Peak C7H7: KOX00053p KOX00120p KOX00122p KOX00126p KOX00154p KOX00189p KOX00236p KOX00238p KOX00325p KOX00359p KOX00377p KOX00424p KOX00433p KOX00456p KOX00471p KOX00485p KOX00514p KOX00558p KOX00580p KOX00582p KOX00604p KOX00635p KOX00645p KOX00647p KOX00649p KOX00658p KOX00667p KOX00674p KOX00694p KOX00703p KOX00713p KOX00718p KOX00722p KOX00725p KOX00731p KOX00738p KOX00747p KOX00766p KOX00770p KOX00790p KOX00797p KOX00798p KOX00807p KOX00808p KOX00809p KOX00834p KOX00857p KOX00859p KOX00870p KOX00872p KOX00875p KOX00878p KOX00879p KOX00880p KOX00883p KOX00900p

[edit] Annotations

Precursor	Product	Comments
C20H20NO5 (354)	C20H18NO4 (336)	-H2O
C20H20NO5 (354)	C11H12NO3 (206)	b
C20H20NO5 (354)	C9H9O2 (149)	a
C11H12NO3 (206)	C11H11NO2 (189)	IT
C11H12NO3 (206)	C11H10NO2 (188)	IT
C11H12NO3 (206)	C9H9O2* (149)	ITinc

[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。

KOX00836p	354 C20H20NO5	336 C20H18NO4	275 C18H11O3	247 C17H11O2	235 C16H11O2	206 C11H12NO3	189 C11H11NO2	188 C11H10NO2	149 C9H9O2	135 C8H7O2	119 C8H7O	118 C8H8N	107 C7H7O	91 C7H7
354 C20H20NO5
336 C20H18NO4	H2O
275 C18H11O3	C2H9NO2	C2H7NO
247 C17H11O2	C3H9NO3	C3H7NO2	CO
235 C16H11O2	C4H9NO3	C4H7NO2	C2O	C
206 C11H12NO3	C9H8O2	C9H6O
189 C11H11NO2	C9H9O3	C9H7O2				HO
188 C11H10NO2	C9H10O3	C9H8O2				H2O	H
149 C9H9O2	C11H11NO3	C11H9NO2	C9H2O	C8H2	C7H2	C2H3NO	C2H2N	C2HN
135 C8H7O2	C12H13NO3	C12H11NO2	C10H4O	C9H4	C8H4	C3H5NO	C3H4N	C3H3N	CH2
119 C8H7O	C12H13NO4	C12H11NO3	C10H4O2	C9H4O	C8H4O	C3H5NO2	C3H4NO	C3H3NO	CH2O	O
118 C8H8N	C12H12O5	C12H10O4				C3H4O3	C3H3O2	C3H2O2
107 C7H7O	C13H13NO4	C13H11NO3	C11H4O2	C10H4O	C9H4O	C4H5NO2	C4H4NO	C4H3NO	C2H2O	CO	C
91 C7H7	C13H13NO5	C13H11NO4	C11H4O3	C10H4O2	C9H4O2	C4H5NO3	C4H4NO2	C4H3NO2	C2H2O2	CO2	CO	CHN	O

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

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

@@ Line 2: / Line 2: @@
 &&C20H20NO5&&C20H18NO4&&C18H11O3&&C17H11O2&&C16H11O2&&C11H12NO3&&C11H11NO2&&C11H10NO2&&C9H9O2&&C8H7O2&&C8H7O&&C8H8N&&C7H7O&&C7H7&&
-&&C20H20NO5: C20H18NO4 C11H12NO3 C9H9O2
+&&C20H20NO5: C20H18NO4
+-H2O
+&&C20H20NO5: C11H12NO3
+b
+&&C20H20NO5: C11H11NO2** C11H10NO2**
+&&C20H20NO5: C9H9O2
+a
 &&C20H18NO4: C11H12NO3 C11H11NO2 C11H10NO2 C9H9O2
-&&C11H12NO3: C11H11NO2 C11H10NO2
+&&C17H11O2: C16H11O2*
+&&C11H12NO3: C11H11NO2
+IT
+&&C11H12NO3: C11H10NO2
+IT
+&&C11H12NO3: C9H9O2*
+ITinc
+&&C11H11NO2: C11H10NO2* C9H9O2*
+&&C11H10NO2: C9H9O2*
+&&C9H9O2: C8H7O2*
+&&C8H7O2: C8H7O*
+&&C8H7O: C7H7O*
+&&C7H7O: C7H7*
 }}

IDs and Links
MassBank	Protopine
CAS	130-86-9
Keio ID	P070+

MassBank:KOX00836p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Protopine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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