MassBank:KOX00723p

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Ion Frequency

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Neutral Loss

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Eserine

IDs and Links
MassBank	Eserine
CAS	57-47-6
Keio ID	E007+

Top 10 Similar Molecules of Eserine

Ranking	About scoring
KOX00808p Score:23.56 KOX00834p Score:17.83 KOX00445p Score:14.51 KOX00866p Score:14.18 KOX00582p Score:13.67 KOX00359p Score:13.67 KOX00703p Score:13.6 KOX00053p Score:13.6 KOX00658p Score:11.99 KOX00879p Score:11.95	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。

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Annotations

Precursor	Product	Comments
C15H22N3O2 (276)	C14H17N2O2 (245)	f[g][h]
C15H22N3O2 (276)	C13H17N2O2 (233)	e
C15H22N3O2 (276)	C12H15N2O2 (219)	b
C12H15N2O2 (219)	C10H12NO (162)	IT
C10H12NO (162)	C9H9NO (147)	IT
C10H12NO (162)	C8H9O (121)	IT

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。

KOX00723p	276 C15H22N3O2	245 C14H17N2O2	233 C13H17N2O2	219 C12H15N2O2	176 C11H14NO	162 C10H12NO	160 C10H10NO	147 C9H9NO	146 C9H8NO	134 C9H12N	121 C8H9O	118 C8H8N	117 C8H7N	107 C7H7O	103 C8H7	83 C4H7N2	56 C3H6N
276 C15H22N3O2
245 C14H17N2O2	CH5N
233 C13H17N2O2	C2H5N	C
219 C12H15N2O2	C3H7N	C2H2	CH2
176 C11H14NO	C4H8N2O	C3H3NO	C2H3NO	CHNO
162 C10H12NO	C5H10N2O	C4H5NO	C3H5NO	C2H3NO	CH2
160 C10H10NO	C5H12N2O	C4H7NO	C3H7NO	C2H5NO	CH4	H2
147 C9H9NO	C6H13N2O	C5H8NO	C4H8NO	C3H6NO	C2H5	CH3	CH
146 C9H8NO	C6H14N2O	C5H9NO	C4H9NO	C3H7NO	C2H6	CH4	CH2	H
134 C9H12N	C6H10N2O2	C5H5NO2	C4H5NO2	C3H3NO2	C2H2O	CO
121 C8H9O	C7H13N3O	C6H8N2O	C5H8N2O	C4H6N2O	C3H5N	C2H3N	C2HN	CN
118 C8H8N	C7H14N2O2	C6H9NO2	C5H9NO2	C4H7NO2	C3H6O	C2H4O	C2H2O	CHO	CO	CH4
117 C8H7N	C7H15N2O2	C6H10NO2	C5H10NO2	C4H8NO2	C3H7O	C2H5O	C2H3O	CH2O	CHO	CH5		H
107 C7H7O	C8H15N3O	C7H10N2O	C6H10N2O	C5H8N2O	C4H7N	C3H5N	C3H3N	C2H2N	C2HN		CH2
103 C8H7	C7H15N3O2	C6H10N2O2	C5H10N2O2	C4H8N2O2	C3H7NO	C2H5NO	C2H3NO	CH2NO	CHNO	CH5N	H2O	HN	N
83 C4H7N2	C11H15NO2	C10H10O2	C9H10O2	C8H8O2
56 C3H6N	C12H16N2O2	C11H11NO2	C10H11NO2	C9H9NO2	C8H8O	C7H6O	C7H4O	C6H3O	C6H2O	C6H6		C5H2	C5H			CHN

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