Latest revision as of 13:43, 4 November 2009

All Molecules
KOX PR PBX COX

Hyoscyamine

[edit] Top 10 Similar Molecules of Hyoscyamine

Ranking	About scoring
KOX00649p Score:48 KOX00875p Score:31.42 KOX00872p Score:14.98 KOX00485p Score:14.98 KOX00122p Score:14.98 KOX00053p Score:14.98 KOX00865p Score:14.64 KOX00770p Score:14.46 KOX00645p Score:14.46 KOX00811p Score:11.16	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 C17H24NO3: KOX00649p Pages Related to Peak C16H22NO2: KOX00649p KOX00856p KOX00895p Pages Related to Peak C8H16NO: KOX00649p KOX00875p Pages Related to Peak C8H14N: KOX00649p KOX00875p Pages Related to Peak C8H7: KOX00053p KOX00122p KOX00374p KOX00377p KOX00379p KOX00381p KOX00424p KOX00445p KOX00485p KOX00604p KOX00649p KOX00658p KOX00703p KOX00719p KOX00720p KOX00723p KOX00738p KOX00763p KOX00797p KOX00807p KOX00811p KOX00828p KOX00860p KOX00865p KOX00872p KOX00878p KOX00879p Pages Related to Peak C7H9: KOX00053p KOX00122p KOX00298p KOX00485p KOX00645p KOX00649p KOX00770p KOX00872p KOX00875p 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 KOX00766p KOX00770p KOX00790p KOX00797p KOX00798p KOX00807p KOX00808p KOX00809p KOX00834p KOX00836p KOX00857p KOX00859p KOX00870p KOX00872p KOX00875p KOX00878p KOX00879p KOX00880p KOX00883p KOX00900p Pages Related to Peak C5H8N: KOX00079p KOX00086p KOX00343p KOX00518p KOX00648p KOX00649p KOX00663p KOX00687p KOX00776p KOX00811p KOX00830p KOX00865p KOX00875p KOX00887p KOX00900p KOX00911p Pages Related to Peak C6H5: KOX00006p KOX00034p KOX00041p KOX00043p KOX00053p KOX00064p KOX00073p KOX00118p KOX00120p KOX00122p KOX00126p KOX00189p KOX00195p KOX00221p KOX00231p KOX00236p KOX00328p KOX00359p KOX00368p KOX00371p KOX00374p KOX00377p KOX00379p KOX00381p KOX00422p KOX00424p KOX00433p KOX00445p KOX00456p KOX00471p KOX00485p KOX00491p KOX00501p KOX00510p KOX00514p KOX00536p KOX00558p KOX00580p KOX00582p KOX00604p KOX00616p KOX00628p KOX00637p KOX00638p KOX00643p KOX00645p KOX00646p KOX00649p KOX00670p KOX00671p KOX00673p KOX00674p KOX00676p KOX00694p KOX00697p KOX00703p KOX00705p KOX00713p KOX00719p KOX00720p KOX00722p KOX00725p KOX00731p KOX00738p KOX00762p KOX00763p KOX00766p KOX00767p KOX00769p KOX00770p KOX00784p KOX00789p KOX00795p KOX00797p KOX00804p KOX00805p KOX00807p KOX00808p KOX00809p KOX00811p KOX00814p KOX00817p KOX00819p KOX00824p KOX00828p KOX00830p KOX00832p KOX00834p KOX00840p KOX00859p KOX00860p KOX00865p KOX00866p KOX00870p KOX00872p KOX00875p KOX00877p KOX00878p KOX00879p KOX00880p KOX00886p KOX00892p KOX00900p KOX00903p KOX00912p Pages Related to Peak C5H7: KOX00016p KOX00041p KOX00043p KOX00067p KOX00069p KOX00095p KOX00126p KOX00174p KOX00197p KOX00290p KOX00292p KOX00343p KOX00347p KOX00393p KOX00420p KOX00469p KOX00491p KOX00499p KOX00508p KOX00512p KOX00633p KOX00645p KOX00647p KOX00649p KOX00661p KOX00685p KOX00687p KOX00691p KOX00709p KOX00710p KOX00731p KOX00736p KOX00762p KOX00767p KOX00769p KOX00770p KOX00782p KOX00784p KOX00808p KOX00819p KOX00822p KOX00830p KOX00865p KOX00875p KOX00887p KOX00895p

[edit] Annotations

Precursor	Product	Comments
C17H24NO3 (290)	C16H22NO2 (260)	c
C17H24NO3 (290)	C8H16NO (142)	f
C17H24NO3 (290)	C8H14N (124)	b
C17H24NO3 (290)	C6H5 (77)	d
C8H14N (124)	C7H9 (93)	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。

KOX00747p	290 C17H24NO3	260 C16H22NO2	142 C8H16NO	124 C8H14N	103 C8H7	93 C7H9	91 C7H7	82 C5H8N	77 C6H5	67 C5H7
290 C17H24NO3
260 C16H22NO2	CH2O
142 C8H16NO	C9H8O2	C8H6O
124 C8H14N	C9H10O3	C8H8O2	H2O
103 C8H7	C9H17NO3	C8H15NO2	H9NO	H7N
93 C7H9	C10H15NO3	C9H13NO2	CH7NO	CH5N
91 C7H7	C10H17NO3	C9H15NO2	CH9NO	CH7N	C	H2
82 C5H8N	C12H16O3	C11H14O2	C3H8O	C3H6
77 C6H5	C11H19NO3	C10H17NO2	C2H11NO	C2H9N	C2H2	CH4	CH2
67 C5H7	C12H17NO3	C11H15NO2	C3H9NO	C3H7N	C3	C2H2	C2	HN

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IDs and Links
MassBank	Hyoscyamine
CAS	101-31-5
Keio ID	H045+

MassBank:KOX00747p

Latest revision as of 13:43, 4 November 2009

Contents

[edit] Top 10 Similar Molecules of Hyoscyamine

[edit] Links

[edit] Annotations

[edit] Precursor-Product Relationship

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